1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea

C17H14ClN3OS — CID 4640164

IUPAC1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
SMILESCc1sc(NC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-11-15(12-5-3-2-4-6-12)20-17(23-11)21-16(22)19-14-9-7-13(18)8-10-14/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyZNPBCQNUEYALJJ-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.42
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea

1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 4640164) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID4640164
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
SMILESCc1sc(NC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-11-15(12-5-3-2-4-6-12)20-17(23-11)21-16(22)19-14-9-7-13(18)8-10-14/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyZNPBCQNUEYALJJ-UHFFFAOYSA-N
XLogP5.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 58465398
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 4868536
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 26291745
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea (CID 4640164) is 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea is Cc1sc(NC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is ZNPBCQNUEYALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-15(12-5-3-2-4-6-12)20-17(23-11)21-16(22)19-14-9-7-13(18)8-10-14/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 343.84 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4640164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).