1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea

C18H16ClN3OS — CID 1185920

IUPAC1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1ccc(-c2nc(NC(=O)Nc3cccc(Cl)c3)sc2C)cc1
InChIInChI=1S/C18H16ClN3OS/c1-11-6-8-13(9-7-11)16-12(2)24-18(21-16)22-17(23)20-15-5-3-4-14(19)10-15/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyDOTGKZHMXFBZIF-UHFFFAOYSA-N
MW357.87 g/mol
LogP5.72
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea

1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 1185920) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID1185920
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1ccc(-c2nc(NC(=O)Nc3cccc(Cl)c3)sc2C)cc1
InChIInChI=1S/C18H16ClN3OS/c1-11-6-8-13(9-7-11)16-12(2)24-18(21-16)22-17(23)20-15-5-3-4-14(19)10-15/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyDOTGKZHMXFBZIF-UHFFFAOYSA-N
XLogP5.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.72
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
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 58465398
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
3-chloro-N-[3-[1-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18899975
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850
3-chloro-N-[3-[2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899993
3-(2,6-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4113800
1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 15993448
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea (CID 1185920) is 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea is Cc1ccc(-c2nc(NC(=O)Nc3cccc(Cl)c3)sc2C)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is DOTGKZHMXFBZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-11-6-8-13(9-7-11)16-12(2)24-18(21-16)22-17(23)20-15-5-3-4-14(19)10-15/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 357.87 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 1185920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).