N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide

C13H9ClN4OS — CID 24687012

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccs1
InChIInChI=1S/C13H9ClN4OS/c14-9-3-4-11(18-8-15-7-16-18)10(6-9)17-13(19)12-2-1-5-20-12/h1-8H,(H,17,19)
InChIKeyMHJIUKMWHQEBTE-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.23
Rot. Bonds3

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 24687012) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID24687012
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccs1
InChIInChI=1S/C13H9ClN4OS/c14-9-3-4-11(18-8-15-7-16-18)10(6-9)17-13(19)12-2-1-5-20-12/h1-8H,(H,17,19)
InChIKeyMHJIUKMWHQEBTE-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide (CID 24687012) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccs1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is MHJIUKMWHQEBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c14-9-3-4-11(18-8-15-7-16-18)10(6-9)17-13(19)12-2-1-5-20-12/h1-8H,(H,17,19).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24687012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).