1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea

C10H14N2O2S — CID 6391825

IUPAC1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea
SMILESCc1ccc(/C=C/C(C)N(O)C(N)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-7(12(14)10(11)13)3-5-9-6-4-8(2)15-9/h3-7,14H,1-2H3,(H2,11,13)/b5-3+
InChIKeyUYBREDMVXNDXOC-HWKANZROSA-N
MW226.30 g/mol
LogP2.23
Rot. Bonds3

About 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea

1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea (PubChem CID 6391825) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea
PubChem CID6391825
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea
SMILESCc1ccc(/C=C/C(C)N(O)C(N)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-7(12(14)10(11)13)3-5-9-6-4-8(2)15-9/h3-7,14H,1-2H3,(H2,11,13)/b5-3+
InChIKeyUYBREDMVXNDXOC-HWKANZROSA-N
XLogP2.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]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

N-hydroxy-N-[1-(5-methylthien-2-yl)ethyl]urea
CID 10798098
N-hydroxy-N-[(2E)-1-methyl-3-thien-3-ylprop-2-enyl]urea
CID 10608595
N-[1-(2,5-dimethylthien-3-yl)ethyl]-N-hydroxyurea
CID 10680149
N-hydroxy-N-(1-thien-2-ylethyl)urea
CID 10726208
N-hydroxy-N-[1-(3-methylthien-2-yl)ethyl]urea
CID 10821903
1-Hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea
CID 19813500
1-[4-[5-(4-Fluorophenyl)sulfanylthiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
CID 145828285
1-[(2R)-4-[5-[(Z,2E)-2-ethylidene-6-fluorohept-4-enyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
CID 142240281
1-[4-(5-Bromothiophen-2-yl)but-3-yn-2-yl]-1-hydroxyurea
CID 19422158
1-[4-(5-Butylthiophen-2-yl)but-3-yn-2-yl]-1-hydroxyurea
CID 19422241
1-Hydroxy-1-[4-(5-thiophen-2-ylthiophen-2-yl)but-3-yn-2-yl]urea
CID 19422262
1-Hydroxy-1-[4-(5-methylthiophen-2-yl)but-3-yn-2-yl]urea
CID 19422268

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea?
The IUPAC name of 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea (CID 6391825) is 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea?
The canonical SMILES for 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea is Cc1ccc(/C=C/C(C)N(O)C(N)=O)s1.
What is the InChIKey of 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea?
The InChIKey is UYBREDMVXNDXOC-HWKANZROSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(12(14)10(11)13)3-5-9-6-4-8(2)15-9/h3-7,14H,1-2H3,(H2,11,13)/b5-3+.
What are the key properties of 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea?
1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea has a molecular weight of 226.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea is sourced from PubChem (CID 6391825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).