1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea

C10H14N2O2S — CID 90500385

IUPAC1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(O)c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-2-5-11-10(14)12-7-8(13)9-4-3-6-15-9/h2-4,6,8,13H,1,5,7H2,(H2,11,12,14)
InChIKeyKDXPUNSFCCXDPH-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.27
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea

1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea (PubChem CID 90500385) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
PubChem CID90500385
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCC(O)c1cccs1
InChIInChI=1S/C10H14N2O2S/c1-2-5-11-10(14)12-7-8(13)9-4-3-6-15-9/h2-4,6,8,13H,1,5,7H2,(H2,11,12,14)
InChIKeyKDXPUNSFCCXDPH-UHFFFAOYSA-N
XLogP1.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
CID 95774033
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 111427370
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea (CID 90500385) is 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea is C=CCNC(=O)NCC(O)c1cccs1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea?
The InChIKey is KDXPUNSFCCXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-5-11-10(14)12-7-8(13)9-4-3-6-15-9/h2-4,6,8,13H,1,5,7H2,(H2,11,12,14).
What are the key properties of 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea?
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea has a molecular weight of 226.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea is sourced from PubChem (CID 90500385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).