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

C14H16N2O2S — CID 55173709

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
SMILESCC(O)c1cccc(NC(=O)NCc2ccsc2)c1
InChIInChI=1S/C14H16N2O2S/c1-10(17)12-3-2-4-13(7-12)16-14(18)15-8-11-5-6-19-9-11/h2-7,9-10,17H,8H2,1H3,(H2,15,16,18)
InChIKeyBDVRRGMPNYUATI-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.12
Rot. Bonds4

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

1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 55173709) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
PubChem CID55173709
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
SMILESCC(O)c1cccc(NC(=O)NCc2ccsc2)c1
InChIInChI=1S/C14H16N2O2S/c1-10(17)12-3-2-4-13(7-12)16-14(18)15-8-11-5-6-19-9-11/h2-7,9-10,17H,8H2,1H3,(H2,15,16,18)
InChIKeyBDVRRGMPNYUATI-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(1-hydroxyethyl)phenyl]-3-(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-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
2-[3-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63244370
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 78874516
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(thiophen-3-ylmethyl)urea
CID 71976448

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea (CID 55173709) is 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea is CC(O)c1cccc(NC(=O)NCc2ccsc2)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
The InChIKey is BDVRRGMPNYUATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(17)12-3-2-4-13(7-12)16-14(18)15-8-11-5-6-19-9-11/h2-7,9-10,17H,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 276.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 55173709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).