1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea

C12H18N2O2S — CID 19894243

IUPAC1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
SMILESCNC(=O)N(O)C(C)C1CC1c1ccc(C)s1
InChIInChI=1S/C12H18N2O2S/c1-7-4-5-11(17-7)10-6-9(10)8(2)14(16)12(15)13-3/h4-5,8-10,16H,6H2,1-3H3,(H,13,15)
InChIKeyIVCHAGYRVDAXEN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.58
Rot. Bonds3

About 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea

1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea (PubChem CID 19894243) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
PubChem CID19894243
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea
SMILESCNC(=O)N(O)C(C)C1CC1c1ccc(C)s1
InChIInChI=1S/C12H18N2O2S/c1-7-4-5-11(17-7)10-6-9(10)8(2)14(16)12(15)13-3/h4-5,8-10,16H,6H2,1-3H3,(H,13,15)
InChIKeyIVCHAGYRVDAXEN-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
The IUPAC name of 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea (CID 19894243) is 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea is CNC(=O)N(O)C(C)C1CC1c1ccc(C)s1.
What is the InChIKey of 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
The InChIKey is IVCHAGYRVDAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-4-5-11(17-7)10-6-9(10)8(2)14(16)12(15)13-3/h4-5,8-10,16H,6H2,1-3H3,(H,13,15).
What are the key properties of 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea?
1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea has a molecular weight of 254.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-[1-[2-(5-methylthiophen-2-yl)cyclopropyl]ethyl]urea is sourced from PubChem (CID 19894243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).