1-hydroxy-3-(1-thiophen-3-ylethyl)urea

C7H10N2O2S — CID 23821299

IUPAC1-hydroxy-3-(1-thiophen-3-ylethyl)urea
SMILESCC(NC(=O)NO)c1ccsc1
InChIInChI=1S/C7H10N2O2S/c1-5(8-7(10)9-11)6-2-3-12-4-6/h2-5,11H,1H3,(H2,8,9,10)
InChIKeyAAUOVUVLPKPKMI-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.50
Rot. Bonds2

About 1-hydroxy-3-(1-thiophen-3-ylethyl)urea

1-hydroxy-3-(1-thiophen-3-ylethyl)urea (PubChem CID 23821299) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-hydroxy-3-(1-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-(1-thiophen-3-ylethyl)urea
PubChem CID23821299
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1-hydroxy-3-(1-thiophen-3-ylethyl)urea
SMILESCC(NC(=O)NO)c1ccsc1
InChIInChI=1S/C7H10N2O2S/c1-5(8-7(10)9-11)6-2-3-12-4-6/h2-5,11H,1H3,(H2,8,9,10)
InChIKeyAAUOVUVLPKPKMI-UHFFFAOYSA-N
XLogP1.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-3-(1-thiophen-3-ylethyl)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

3-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 55127095
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
3-methoxy-2-(1-thiophen-3-ylethylcarbamoylamino)propanoic acid
CID 81080977
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-methyl-2-(methylamino)-N-(1-thiophen-3-ylethyl)propanamide
CID 62843521
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
4-bromo-3-(1-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 107814140
2-[4-(1-thiophen-3-ylethylcarbamoylamino)phenyl]acetic acid
CID 62844073
1-[[(1S)-1-thiophen-3-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
CID 125443030
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-thiophen-3-ylethyl)urea?
The IUPAC name of 1-hydroxy-3-(1-thiophen-3-ylethyl)urea (CID 23821299) is 1-hydroxy-3-(1-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-hydroxy-3-(1-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-hydroxy-3-(1-thiophen-3-ylethyl)urea is CC(NC(=O)NO)c1ccsc1.
What is the InChIKey of 1-hydroxy-3-(1-thiophen-3-ylethyl)urea?
The InChIKey is AAUOVUVLPKPKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5(8-7(10)9-11)6-2-3-12-4-6/h2-5,11H,1H3,(H2,8,9,10).
What are the key properties of 1-hydroxy-3-(1-thiophen-3-ylethyl)urea?
1-hydroxy-3-(1-thiophen-3-ylethyl)urea has a molecular weight of 186.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-thiophen-3-ylethyl)urea is sourced from PubChem (CID 23821299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).