1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea

C15H17FN2OS — CID 38885273

IUPAC1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea
SMILESCc1cc([C@@H](C)NC(=O)Nc2ccccc2F)c(C)s1
InChIInChI=1S/C15H17FN2OS/c1-9-8-12(11(3)20-9)10(2)17-15(19)18-14-7-5-4-6-13(14)16/h4-8,10H,1-3H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyJUECHZCJOWEGAV-SNVBAGLBSA-N
MW292.38 g/mol
LogP4.39
Rot. Bonds3

About 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea

1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 38885273) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea
PubChem CID38885273
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea
SMILESCc1cc([C@@H](C)NC(=O)Nc2ccccc2F)c(C)s1
InChIInChI=1S/C15H17FN2OS/c1-9-8-12(11(3)20-9)10(2)17-15(19)18-14-7-5-4-6-13(14)16/h4-8,10H,1-3H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyJUECHZCJOWEGAV-SNVBAGLBSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)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-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
methyl N-[3-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoylamino]phenyl]carbamate
CID 51962721
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298075
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
1-(2-fluorophenyl)-3-[(1R)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 42558008
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea (CID 38885273) is 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea is Cc1cc([C@@H](C)NC(=O)Nc2ccccc2F)c(C)s1.
What is the InChIKey of 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is JUECHZCJOWEGAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-9-8-12(11(3)20-9)10(2)17-15(19)18-14-7-5-4-6-13(14)16/h4-8,10H,1-3H3,(H2,17,18,19)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea?
1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 38885273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).