1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea

C13H14N2OS — CID 2823052

IUPAC1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C13H14N2OS/c1-10-5-2-3-7-12(10)15-13(16)14-9-11-6-4-8-17-11/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyHHSDEBRCYYNJSH-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea

1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 2823052) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID2823052
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCc1ccccc1NC(=O)NCc1cccs1
InChIInChI=1S/C13H14N2OS/c1-10-5-2-3-7-12(10)15-13(16)14-9-11-6-4-8-17-11/h2-8H,9H2,1H3,(H2,14,15,16)
InChIKeyHHSDEBRCYYNJSH-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)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-Methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25263992
N-benzyl-N'-[4-(methylthio)phenyl]urea
CID 2822858
N-(2-cyanoethyl)-N'-phenyl-N-(2-thienylmethyl)urea
CID 2812721
N-butyl-N'-[4-(1,3-dithiolan-2-yl)phenyl]urea
CID 2819085
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
N-benzyl-N'-(2-methylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 16193217
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
N-(2-methylphenyl)-N'-thien-2-ylurea
CID 3237082
1-(2,6-Diisopropyl-phenyl)-3-{2-phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethyl}-urea
CID 44297198
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600984
4-methyl-N-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
CID 3484025

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea (CID 2823052) is 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea is Cc1ccccc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is HHSDEBRCYYNJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-5-2-3-7-12(10)15-13(16)14-9-11-6-4-8-17-11/h2-8H,9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 246.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 2823052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).