4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide

C6H3BrN4OS2 — CID 164656698

IUPAC4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nnns1)c1cscc1Br
InChIInChI=1S/C6H3BrN4OS2/c7-4-2-13-1-3(4)5(12)8-6-9-10-11-14-6/h1-2H,(H,8,9,11,12)
InChIKeyKQTIZASDZSSGEF-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.01
Rot. Bonds2

About 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide

4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide (PubChem CID 164656698) has the molecular formula C6H3BrN4OS2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
PubChem CID164656698
Molecular FormulaC6H3BrN4OS2
Molecular Weight291.16 g/mol
Exact Mass289.89
IUPAC Name4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nnns1)c1cscc1Br
InChIInChI=1S/C6H3BrN4OS2/c7-4-2-13-1-3(4)5(12)8-6-9-10-11-14-6/h1-2H,(H,8,9,11,12)
InChIKeyKQTIZASDZSSGEF-UHFFFAOYSA-N
XLogP2.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide (CID 164656698) is 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide is O=C(Nc1nnns1)c1cscc1Br.
What is the InChIKey of 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide?
The InChIKey is KQTIZASDZSSGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4OS2/c7-4-2-13-1-3(4)5(12)8-6-9-10-11-14-6/h1-2H,(H,8,9,11,12).
What are the key properties of 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide?
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide has a molecular weight of 291.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 164656698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).