1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea

C17H16ClN3OS — CID 682079

IUPAC1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3OS/c1-12-4-2-3-5-15(12)20-16(22)21(17-19-10-11-23-17)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyWOMBMJQFKKLZJD-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.79
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea

1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea (PubChem CID 682079) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea
PubChem CID682079
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(C1=NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3OS/c1-12-4-2-3-5-15(12)20-16(22)21(17-19-10-11-23-17)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyWOMBMJQFKKLZJD-UHFFFAOYSA-N
XLogP4.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
CID 11647475
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea
CID 18575271
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108511829
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea (CID 682079) is 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(C1=NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea?
The InChIKey is WOMBMJQFKKLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-12-4-2-3-5-15(12)20-16(22)21(17-19-10-11-23-17)14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea?
1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea has a molecular weight of 345.86 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 682079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).