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

C15H12ClN3OS2 — CID 2744041

IUPAC1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea
SMILESCc1nc(-c2cccs2)sc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3OS2/c1-9-13(22-14(17-9)12-3-2-8-21-12)19-15(20)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H2,18,19,20)
InChIKeySAOMAGDAEMIKQP-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.48
Rot. Bonds3

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

1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea (PubChem CID 2744041) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea
PubChem CID2744041
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC Name1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea
SMILESCc1nc(-c2cccs2)sc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3OS2/c1-9-13(22-14(17-9)12-3-2-8-21-12)19-15(20)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H2,18,19,20)
InChIKeySAOMAGDAEMIKQP-UHFFFAOYSA-N
XLogP5.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-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-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea (CID 2744041) is 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea is Cc1nc(-c2cccs2)sc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea?
The InChIKey is SAOMAGDAEMIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS2/c1-9-13(22-14(17-9)12-3-2-8-21-12)19-15(20)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea?
1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea has a molecular weight of 349.87 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 2744041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).