3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea

C15H18N2O2S — CID 61341427

IUPAC3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCC(O)c1ccc(NC(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-11(18)13-3-5-14(6-4-13)16-15(19)17(2)9-12-7-8-20-10-12/h3-8,10-11,18H,9H2,1-2H3,(H,16,19)
InChIKeyWIMRWRNXRROTLA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.47
Rot. Bonds4

About 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea (PubChem CID 61341427) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
PubChem CID61341427
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
SMILESCC(O)c1ccc(NC(=O)N(C)Cc2ccsc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-11(18)13-3-5-14(6-4-13)16-15(19)17(2)9-12-7-8-20-10-12/h3-8,10-11,18H,9H2,1-2H3,(H,16,19)
InChIKeyWIMRWRNXRROTLA-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-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-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
CID 61340217
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197737
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63836669
N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
CID 47033602
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
CID 61347436
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
CID 17467272
2-ethyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 79804142
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea (CID 61341427) is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea is CC(O)c1ccc(NC(=O)N(C)Cc2ccsc2)cc1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is WIMRWRNXRROTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(18)13-3-5-14(6-4-13)16-15(19)17(2)9-12-7-8-20-10-12/h3-8,10-11,18H,9H2,1-2H3,(H,16,19).
What are the key properties of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea?
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 61341427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).