N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide

C15H13ClN4OS — CID 51177702

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H13ClN4OS/c1-19(10-12-7-8-14(16)22-12)15(21)13-9-17-20(18-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCKPBMSMOTPUYPM-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.25
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 51177702) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
PubChem CID51177702
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H13ClN4OS/c1-19(10-12-7-8-14(16)22-12)15(21)13-9-17-20(18-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCKPBMSMOTPUYPM-UHFFFAOYSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51175226
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
CID 55360982
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105135061
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide (CID 51177702) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is CKPBMSMOTPUYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-19(10-12-7-8-14(16)22-12)15(21)13-9-17-20(18-13)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 332.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51177702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).