N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

C15H14N4OS — CID 32987584

IUPACN-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11-6-7-21-14(11)8-17-15(20)12-2-4-13(5-3-12)19-10-16-9-18-19/h2-7,9-10H,8H2,1H3,(H,17,20)
InChIKeyLPWCUNJFHRSANI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.57
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 32987584) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID32987584
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H14N4OS/c1-11-6-7-21-14(11)8-17-15(20)12-2-4-13(5-3-12)19-10-16-9-18-19/h2-7,9-10H,8H2,1H3,(H,17,20)
InChIKeyLPWCUNJFHRSANI-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
(2R)-2-[(4-methylphenyl)methyl]-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoic acid
CID 97324634
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991351
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18138197
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991282
2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
CID 24513990
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 32987382
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18128698

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 32987584) is N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is Cc1ccsc1CNC(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LPWCUNJFHRSANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-6-7-21-14(11)8-17-15(20)12-2-4-13(5-3-12)19-10-16-9-18-19/h2-7,9-10H,8H2,1H3,(H,17,20).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 32987584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).