3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide

C6H5N5OS2 — CID 114911590

IUPAC3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1nnns1
InChIInChI=1S/C6H5N5OS2/c7-3-1-2-13-4(3)5(12)8-6-9-10-11-14-6/h1-2H,7H2,(H,8,9,11,12)
InChIKeyQVIQDRZXBRHDBV-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.83
Rot. Bonds2

About 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide

3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide (PubChem CID 114911590) has the molecular formula C6H5N5OS2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide
PubChem CID114911590
Molecular FormulaC6H5N5OS2
Molecular Weight227.27 g/mol
Exact Mass226.99
IUPAC Name3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1nnns1
InChIInChI=1S/C6H5N5OS2/c7-3-1-2-13-4(3)5(12)8-6-9-10-11-14-6/h1-2H,7H2,(H,8,9,11,12)
InChIKeyQVIQDRZXBRHDBV-UHFFFAOYSA-N
XLogP0.83
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
3-(4-hydroxybut-1-ynyl)-N-(thiatriazol-5-yl)thiophene-2-carboxamide
CID 114913782
4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114912512
3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 61093920
3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 61094139
2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
CID 114914384
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322
5-amino-2-methyl-N-(thiatriazol-5-yl)benzamide
CID 114911640
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide (CID 114911590) is 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1nnns1.
What is the InChIKey of 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide?
The InChIKey is QVIQDRZXBRHDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5OS2/c7-3-1-2-13-4(3)5(12)8-6-9-10-11-14-6/h1-2H,7H2,(H,8,9,11,12).
What are the key properties of 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide?
3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiatriazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114911590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).