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

C11H10ClN3OS — CID 771027

IUPAC1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-13-11(17-7)15-10(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyJWGAGOHCBBTLMN-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.75
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 771027) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID771027
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-13-11(17-7)15-10(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyJWGAGOHCBBTLMN-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N-(3-chlorophenyl)-N'-2-thiazolyl-
CID 178054
(5-Chloro-thiazol-2-yl)-(4-fluoro-phenyl)-amine
CID 16095351
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 603425
1-(3,4-Dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
CID 722640
1-(5-Cyclobutyl-thiazol-2-yl)-3-phenyl-urea
CID 9835236
1-(4-Chlorophenyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 9840457
1-(5-Isopropyl-thiazol-2-yl)-3-phenyl-urea
CID 9881657
4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420156
1-(2-Chloropyridin-4-yl)-3-(4-methylthiazol-2-yl)urea
CID 145980671

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 771027) is 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is JWGAGOHCBBTLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-6-13-11(17-7)15-10(16)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 267.74 g/mol, XLogP of 3.75, 2 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-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 771027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).