1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea

C9H13ClN2O2S — CID 141010373

IUPAC1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)N(CCO)Cc1cscc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-11-9(14)12(2-3-13)4-7-5-15-6-8(7)10/h5-6,13H,2-4H2,1H3,(H,11,14)
InChIKeyYLVJWUCZPIYCAJ-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.54
Rot. Bonds4

About 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea

1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea (PubChem CID 141010373) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea
PubChem CID141010373
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)N(CCO)Cc1cscc1Cl
InChIInChI=1S/C9H13ClN2O2S/c1-11-9(14)12(2-3-13)4-7-5-15-6-8(7)10/h5-6,13H,2-4H2,1H3,(H,11,14)
InChIKeyYLVJWUCZPIYCAJ-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea 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-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 122134751
1-[(4-Chlorothiophen-3-yl)methyl]-3-methylurea
CID 141010389
1-[(4-Chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea
CID 141010392
1-[(4-Chlorothiophen-3-yl)methyl]-1-ethyl-3-methylurea
CID 141010408
1-[(4-Chlorothiophen-3-yl)methyl]-3-ethyl-1-methylurea
CID 141010433
1-(2-Hydroxyethyl)-1-methyl-3-(thiophen-3-ylmethyl)urea
CID 109923269
1-Ethyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
CID 110896075
1-(2-Hydroxyethyl)-1-propyl-3-(thiophen-3-ylmethyl)urea
CID 110896077
1-Butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
CID 110896078
1-(2-Hydroxyethyl)-1-prop-2-enyl-3-(thiophen-3-ylmethyl)urea
CID 111424157
2-[(4-Chlorothiophen-3-yl)methylamino]ethanol
CID 131224223

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea?
The IUPAC name of 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea (CID 141010373) is 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea.
What is the SMILES notation for 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea?
The canonical SMILES for 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea is CNC(=O)N(CCO)Cc1cscc1Cl.
What is the InChIKey of 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea?
The InChIKey is YLVJWUCZPIYCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-11-9(14)12(2-3-13)4-7-5-15-6-8(7)10/h5-6,13H,2-4H2,1H3,(H,11,14).
What are the key properties of 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea?
1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea has a molecular weight of 248.73 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea is sourced from PubChem (CID 141010373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).