1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea

C9H14N2O2S — CID 10680149

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea
SMILESCc1cc(C(C)N(O)C(N)=O)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-5-4-8(7(3)14-5)6(2)11(13)9(10)12/h4,6,13H,1-3H3,(H2,10,12)
InChIKeyRVEUAFACUNFOMT-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.20
Rot. Bonds2

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea (PubChem CID 10680149) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea
PubChem CID10680149
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea
SMILESCc1cc(C(C)N(O)C(N)=O)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-5-4-8(7(3)14-5)6(2)11(13)9(10)12/h4,6,13H,1-3H3,(H2,10,12)
InChIKeyRVEUAFACUNFOMT-UHFFFAOYSA-N
XLogP2.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.20
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

Zileuton
CID 60490
Zileuton, (S)-
CID 10220327
N-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N''-methylurea
CID 9878198
N-[1-(5-fluoro-1-benzothien-2-yl)ethyl]-N-hydroxyurea
CID 9921313
N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
N-hydroxy-N-[1-(5-methylthien-2-yl)ethyl]urea
CID 10798098
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450
Zileuton, (R)-
CID 10681296
N-hydroxy-N-(1-thieno[2,3-b]thien-2-ylethyl)urea
CID 10538130
N-hydroxy-N-(1-{5-[(E)-2-phenylvinyl]thien-2-yl}ethyl)urea
CID 44301906
N-hydroxy-N-(1-thien-3-ylethyl)urea
CID 10487791
N-hydroxy-N-[(3-methylthien-2-yl)methyl]urea
CID 10511759

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea (CID 10680149) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea is Cc1cc(C(C)N(O)C(N)=O)c(C)s1.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea?
The InChIKey is RVEUAFACUNFOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-4-8(7(3)14-5)6(2)11(13)9(10)12/h4,6,13H,1-3H3,(H2,10,12).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea has a molecular weight of 214.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10680149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).