1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea

C12H13N3O3S2 — CID 14578280

IUPAC1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NS(=O)(=O)c2ccccc2C)n1
InChIInChI=1S/C12H13N3O3S2/c1-8-5-3-4-6-10(8)20(17,18)15-11(16)14-12-13-9(2)7-19-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyLNEGLGVCMPDBKK-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 14578280) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID14578280
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NS(=O)(=O)c2ccccc2C)n1
InChIInChI=1S/C12H13N3O3S2/c1-8-5-3-4-6-10(8)20(17,18)15-11(16)14-12-13-9(2)7-19-12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyLNEGLGVCMPDBKK-UHFFFAOYSA-N
XLogP2.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methylphenyl)sulfonylurea
CID 14578292
(2-methylphenyl)sulfonylurea
CID 20975378
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114133504
1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 14578280) is 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NS(=O)(=O)c2ccccc2C)n1.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is LNEGLGVCMPDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-8-5-3-4-6-10(8)20(17,18)15-11(16)14-12-13-9(2)7-19-12/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 311.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 14578280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).