1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C17H19N5OS — CID 119044127

IUPAC1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCc1ccc(-n2cc(NC(=O)NCCc3cscn3)cn2)c(C)c1
InChIInChI=1S/C17H19N5OS/c1-12-3-4-16(13(2)7-12)22-9-15(8-20-22)21-17(23)18-6-5-14-10-24-11-19-14/h3-4,7-11H,5-6H2,1-2H3,(H2,18,21,23)
InChIKeyATLVHKWYQYPKRP-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.31
Rot. Bonds5

About 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 119044127) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID119044127
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCc1ccc(-n2cc(NC(=O)NCCc3cscn3)cn2)c(C)c1
InChIInChI=1S/C17H19N5OS/c1-12-3-4-16(13(2)7-12)22-9-15(8-20-22)21-17(23)18-6-5-14-10-24-11-19-14/h3-4,7-11H,5-6H2,1-2H3,(H2,18,21,23)
InChIKeyATLVHKWYQYPKRP-UHFFFAOYSA-N
XLogP3.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 110284890
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 75432221
1-[2-(1,3-thiazol-4-yl)ethyl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 75432219
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102926
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091063
3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276401
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
5-fluoro-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 63825763
N-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 42401565
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091062
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 119044127) is 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea is Cc1ccc(-n2cc(NC(=O)NCCc3cscn3)cn2)c(C)c1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is ATLVHKWYQYPKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-3-4-16(13(2)7-12)22-9-15(8-20-22)21-17(23)18-6-5-14-10-24-11-19-14/h3-4,7-11H,5-6H2,1-2H3,(H2,18,21,23).
What are the key properties of 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 341.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 119044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).