2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide

C19H18N2O3S2 — CID 95171393

IUPAC2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)Nc2ccccc2CS(C)(=O)=O)cs1
InChIInChI=1S/C19H18N2O3S2/c1-13-7-3-5-9-15(13)19-21-17(11-25-19)18(22)20-16-10-6-4-8-14(16)12-26(2,23)24/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyOJYAVLKEAMFJPJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 95171393) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID95171393
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)Nc2ccccc2CS(C)(=O)=O)cs1
InChIInChI=1S/C19H18N2O3S2/c1-13-7-3-5-9-15(13)19-21-17(11-25-19)18(22)20-16-10-6-4-8-14(16)12-26(2,23)24/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyOJYAVLKEAMFJPJ-UHFFFAOYSA-N
XLogP3.92
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenyl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623106
4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75493724
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119503151
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119508196
N-[2-(methylamino)propyl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120830156
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128325
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119571134
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 95171393) is 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccccc1-c1nc(C(=O)Nc2ccccc2CS(C)(=O)=O)cs1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OJYAVLKEAMFJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-13-7-3-5-9-15(13)19-21-17(11-25-19)18(22)20-16-10-6-4-8-14(16)12-26(2,23)24/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95171393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).