3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea

C17H17ClN4OS — CID 2968699

IUPAC3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCC(C)S2)n1
InChIInChI=1S/C17H17ClN4OS/c1-11-4-3-5-15(20-11)22(17-19-10-12(2)24-17)16(23)21-14-8-6-13(18)7-9-14/h3-9,12H,10H2,1-2H3,(H,21,23)
InChIKeyJMULMBIABYMCRJ-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.57
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea

3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea (PubChem CID 2968699) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea
PubChem CID2968699
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCC(C)S2)n1
InChIInChI=1S/C17H17ClN4OS/c1-11-4-3-5-15(20-11)22(17-19-10-12(2)24-17)16(23)21-14-8-6-13(18)7-9-14/h3-9,12H,10H2,1-2H3,(H,21,23)
InChIKeyJMULMBIABYMCRJ-UHFFFAOYSA-N
XLogP4.57
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)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 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea (CID 2968699) is 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea is Cc1cccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCC(C)S2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea?
The InChIKey is JMULMBIABYMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-11-4-3-5-15(20-11)22(17-19-10-12(2)24-17)16(23)21-14-8-6-13(18)7-9-14/h3-9,12H,10H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea?
3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea has a molecular weight of 360.87 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 2968699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).