4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide

C11H8N4OS — CID 123624865

IUPAC4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cn[nH]n3)cccc2s1
InChIInChI=1S/C11H8N4OS/c12-11(16)10-4-7-6(8-5-13-15-14-8)2-1-3-9(7)17-10/h1-5H,(H2,12,16)(H,13,14,15)
InChIKeyJDIYNFNSXUTBQO-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.79
Rot. Bonds2

About 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide

4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 123624865) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID123624865
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2c(-c3cn[nH]n3)cccc2s1
InChIInChI=1S/C11H8N4OS/c12-11(16)10-4-7-6(8-5-13-15-14-8)2-1-3-9(7)17-10/h1-5H,(H2,12,16)(H,13,14,15)
InChIKeyJDIYNFNSXUTBQO-UHFFFAOYSA-N
XLogP1.79
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-benzothiophene-2-carboxamide
CID 142819762
8-(2H-triazol-4-yl)naphthalene-1-carboxamide
CID 21338713
4-phenylthieno[2,3-c]pyridine-2-carboxamide;propane
CID 91467405
4-[5-(3-aminopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 138857435
4-[5-[(2-chloro-4-pyridinyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
CID 71664582
N-(diaminomethylidene)-4-(2,5-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 11525441
N-(diaminomethylidene)-4-(4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 11689961
4-pyridin-3-yl-1-benzothiophene-2-carboximidamide
CID 15230355
4-(1-hydroxy-1-phenylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 20594232
N-(diaminomethylidene)-4-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 11509983
(diaminomethylideneamino) 2-[4-[5-(aminomethyl)-2-fluorophenyl]-1-benzothiophen-2-yl]-2-oxoethanesulfonate
CID 174534076
8-(2H-triazol-4-yl)-1H-quinolin-4-one
CID 67815890

Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide (CID 123624865) is 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide is NC(=O)c1cc2c(-c3cn[nH]n3)cccc2s1.
What is the InChIKey of 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is JDIYNFNSXUTBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-11(16)10-4-7-6(8-5-13-15-14-8)2-1-3-9(7)17-10/h1-5H,(H2,12,16)(H,13,14,15).
What are the key properties of 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide?
4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 123624865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).