5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9543da3618da461d9dc383bb0f1d528b.png "5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
896809-00-0
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Formula:
C18H19N5O2S
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Chemical Name:
5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
(6E)-6-(4-hydroxybenzylidene)-5-imino-2-(4-methylpiperidin-1-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;ZINC2202960;ZINC5342211;STK583588;STL007422;AKOS001868913;AKOS005506840;MCULE-9124638948;SR-01000134761;SR-01000134761-1;4-{(E)-[5-iminio-2-(4-methylpiperidin-1-yl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate;896809-00-0
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CAS No:
5-amino-2-(4-methylpiperidin-1-yl)-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
369.4 g/mol
369.12594604 g/mol
Computed Properties
Molecular Weight:369.4
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:369.12594604
Monoisotopic Mass:369.12594604
Topological Polar Surface Area:117
Heavy Atom Count:26
Complexity:839
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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