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5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine

5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine structure

CAS No:
40045-50-9
Formula:
C5H3N5O2S3
Chemical Name:
5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine
Synonyms:
1,3,4-Thiadiazol-2-amine,5-[(5-nitro-2-thiazolyl)thio]-;5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine;SU 3327;Halicin
Categories:
Specialty Chemicals

Description

Halicin is a member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties. It has a role as a c-Jun N-terminal kinase inhibitor and an antibacterial agent. It is a member of thiadiazoles, a member of 1,3-thiazoles, a primary amino compound, a C-nitro compound and an organic sulfide.

5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine Basic Attributes

Molecular Weight：

261.3

Exact Mass：

261.30

DSSTox ID：

DTXSID70474254

Characteristics

Density：

1.88±0.1 g/cm3

Melting Point：

160 °C(dec.)

Boiling Point：

549.8±42.0 °C(Predicted)

PKA：

0.65±0.10

Drug Information

MeSH Entry Terms：

1,3,4-Thiadiazol-2-amine, 5-((5-nitro-2-thiazolyl)thio)-

Computed Properties

Molecular Weight:261.3
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:260.94488788
Monoisotopic Mass:260.94488788
Topological Polar Surface Area:192
Heavy Atom Count:15
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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40045-50-9 5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

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Guide of 5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine

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Characteristics
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