1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea

C19H19N3OS — CID 58465398

IUPAC1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
SMILESCc1ccc(-c2nc(NC(=O)Nc3ccccc3)sc2C)cc1C
InChIInChI=1S/C19H19N3OS/c1-12-9-10-15(11-13(12)2)17-14(3)24-19(21-17)22-18(23)20-16-7-5-4-6-8-16/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyYBFUETNGLIOJGU-UHFFFAOYSA-N
MW337.45 g/mol
LogP5.38
Rot. Bonds3

About 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea

1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 58465398) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID58465398
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
SMILESCc1ccc(-c2nc(NC(=O)Nc3ccccc3)sc2C)cc1C
InChIInChI=1S/C19H19N3OS/c1-12-9-10-15(11-13(12)2)17-14(3)24-19(21-17)22-18(23)20-16-7-5-4-6-8-16/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyYBFUETNGLIOJGU-UHFFFAOYSA-N
XLogP5.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
cis-(1R,2S)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1229830
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2809893
4-(3,4-dimethylphenyl)-5-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 126052604
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200223
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea (CID 58465398) is 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea is Cc1ccc(-c2nc(NC(=O)Nc3ccccc3)sc2C)cc1C.
What is the InChIKey of 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is YBFUETNGLIOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-9-10-15(11-13(12)2)17-14(3)24-19(21-17)22-18(23)20-16-7-5-4-6-8-16/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 337.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 58465398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).