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

C15H14N4OS — CID 31964658

IUPAC3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11-6-7-21-14(11)15(20)18-13-4-2-12(3-5-13)8-19-10-16-9-17-19/h2-7,9-10H,8H2,1H3,(H,18,20)
InChIKeyOISAORBWOQSVTM-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.95
Rot. Bonds4

About 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 31964658) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID31964658
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11-6-7-21-14(11)15(20)18-13-4-2-12(3-5-13)8-19-10-16-9-17-19/h2-7,9-10H,8H2,1H3,(H,18,20)
InChIKeyOISAORBWOQSVTM-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 31964658) is 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is OISAORBWOQSVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-6-7-21-14(11)15(20)18-13-4-2-12(3-5-13)8-19-10-16-9-17-19/h2-7,9-10H,8H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31964658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).