1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea

C9H12N2O2S — CID 10608595

IUPAC1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea
SMILESCC(/C=C/c1ccsc1)N(O)C(N)=O
InChIInChI=1S/C9H12N2O2S/c1-7(11(13)9(10)12)2-3-8-4-5-14-6-8/h2-7,13H,1H3,(H2,10,12)/b3-2+
InChIKeyHUOWWDPTVRQXSL-NSCUHMNNSA-N
MW212.27 g/mol
LogP1.92
Rot. Bonds3

About 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea

1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea (PubChem CID 10608595) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea
PubChem CID10608595
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea
SMILESCC(/C=C/c1ccsc1)N(O)C(N)=O
InChIInChI=1S/C9H12N2O2S/c1-7(11(13)9(10)12)2-3-8-4-5-14-6-8/h2-7,13H,1H3,(H2,10,12)/b3-2+
InChIKeyHUOWWDPTVRQXSL-NSCUHMNNSA-N
XLogP1.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.92
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'}

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Related Compounds

1-hydroxy-1-[1-[5-[(E)-2-thiophen-3-ylethenyl]thiophen-2-yl]ethyl]urea
CID 19780484
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
1-hydroxy-1-[(E)-4-(2-sulfanylphenyl)but-3-en-2-yl]urea
CID 143466313
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
1-hydroxy-1-[1-[4-(2-thiophen-3-ylethynyl)phenyl]ethyl]urea
CID 15181444
(dimethylamino)methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 122223999
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(E)-2-oxo-4-thiophen-3-ylbut-3-enoic acid
CID 18436648
1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one
CID 4139296
ethyl 2-oxo-4-thiophen-3-ylbut-3-enoate
CID 53411531
methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
(E)-4-thiophen-3-ylbut-3-enoic acid
CID 23369401

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea?
The IUPAC name of 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea (CID 10608595) is 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea?
The canonical SMILES for 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea is CC(/C=C/c1ccsc1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea?
The InChIKey is HUOWWDPTVRQXSL-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7(11(13)9(10)12)2-3-8-4-5-14-6-8/h2-7,13H,1H3,(H2,10,12)/b3-2+.
What are the key properties of 1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea?
1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea has a molecular weight of 212.27 g/mol, XLogP of 1.92, 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-thiophen-3-ylbut-3-en-2-yl]urea is sourced from PubChem (CID 10608595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).