4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

C7H4BrN3OS2 — CID 164647538

IUPAC4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nncs1)c1cscc1Br
InChIInChI=1S/C7H4BrN3OS2/c8-5-2-13-1-4(5)6(12)10-7-11-9-3-14-7/h1-3H,(H,10,11,12)
InChIKeyZIQNWRWVYCFBHW-UHFFFAOYSA-N
MW290.17 g/mol
LogP2.61
Rot. Bonds2

About 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (PubChem CID 164647538) has the molecular formula C7H4BrN3OS2 and a molecular weight of 290.17 g/mol. Its IUPAC name is 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
PubChem CID164647538
Molecular FormulaC7H4BrN3OS2
Molecular Weight290.17 g/mol
Exact Mass288.90
IUPAC Name4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nncs1)c1cscc1Br
InChIInChI=1S/C7H4BrN3OS2/c8-5-2-13-1-4(5)6(12)10-7-11-9-3-14-7/h1-3H,(H,10,11,12)
InChIKeyZIQNWRWVYCFBHW-UHFFFAOYSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 164647541
2-amino-5-bromo-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62151599
4-bromo-N-(1,2-oxazol-3-yl)thiophene-3-carboxamide
CID 164655565
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945
2-fluoro-4-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 103940013
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162
2-methyl-N-(1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 71880407
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (CID 164647538) is 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is O=C(Nc1nncs1)c1cscc1Br.
What is the InChIKey of 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is ZIQNWRWVYCFBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3OS2/c8-5-2-13-1-4(5)6(12)10-7-11-9-3-14-7/h1-3H,(H,10,11,12).
What are the key properties of 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 290.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 164647538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).