1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea

C9H14N2O2S — CID 19780434

IUPAC1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea
SMILESCc1ccc(C(C)CN(O)C(N)=O)s1
InChIInChI=1S/C9H14N2O2S/c1-6(5-11(13)9(10)12)8-4-3-7(2)14-8/h3-4,6,13H,5H2,1-2H3,(H2,10,12)
InChIKeyVAMKUZKHVYCTJC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.93
Rot. Bonds3

About 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea

1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea (PubChem CID 19780434) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea
PubChem CID19780434
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea
SMILESCc1ccc(C(C)CN(O)C(N)=O)s1
InChIInChI=1S/C9H14N2O2S/c1-6(5-11(13)9(10)12)8-4-3-7(2)14-8/h3-4,6,13H,5H2,1-2H3,(H2,10,12)
InChIKeyVAMKUZKHVYCTJC-UHFFFAOYSA-N
XLogP1.93
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.93
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

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
N-hydroxy-N-(1-{5-[(E)-2-phenylvinyl]thien-2-yl}ethyl)urea
CID 44301906
N-hydroxy-N-[(3-methylthien-2-yl)methyl]urea
CID 10511759
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-(2-phenylethenyl)thiophen-2-yl]ethyl]urea
CID 23732148
1-hydroxy-1-[(E)-4-(5-methylthiophen-2-yl)but-3-en-2-yl]urea
CID 6391825
1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
CID 18646340
1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646366

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea?
The IUPAC name of 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea (CID 19780434) is 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea.
What is the SMILES notation for 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea?
The canonical SMILES for 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea is Cc1ccc(C(C)CN(O)C(N)=O)s1.
What is the InChIKey of 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea?
The InChIKey is VAMKUZKHVYCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(5-11(13)9(10)12)8-4-3-7(2)14-8/h3-4,6,13H,5H2,1-2H3,(H2,10,12).
What are the key properties of 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea?
1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea has a molecular weight of 214.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea is sourced from PubChem (CID 19780434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).