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

C11H10ClN3OS — CID 727855

IUPAC1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySZPQTSUDPDNCAK-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.75
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 727855) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID727855
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySZPQTSUDPDNCAK-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

Analyze 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 727855) is 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is SZPQTSUDPDNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(4-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-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).