N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

C14H12N4OS — CID 30873241

IUPACN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cccs1
InChIInChI=1S/C14H12N4OS/c19-14(13-2-1-7-20-13)17-12-5-3-11(4-6-12)8-18-10-15-9-16-18/h1-7,9-10H,8H2,(H,17,19)
InChIKeyCFPDSBYBWLLTTR-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.64
Rot. Bonds4

About N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 30873241) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID30873241
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cccs1
InChIInChI=1S/C14H12N4OS/c19-14(13-2-1-7-20-13)17-12-5-3-11(4-6-12)8-18-10-15-9-16-18/h1-7,9-10H,8H2,(H,17,19)
InChIKeyCFPDSBYBWLLTTR-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 30873241) is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)c1cccs1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is CFPDSBYBWLLTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-14(13-2-1-7-20-13)17-12-5-3-11(4-6-12)8-18-10-15-9-16-18/h1-7,9-10H,8H2,(H,17,19).
What are the key properties of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30873241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).