N-Methoxy-N-methyl-N'-(3-isopropyl-5-isothiazolyl)urea

HCID 175649

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Basic information

CAS: 95882-55-6
Standard SMILES: CON(C)C(=O)Nc1cc(C(C)C)ns1
InChIKey: COFXPMJYMPWKST-UHFFFAOYSA-N
Molecular formula: C9H15N3O2S
Average molar mass: 229.3 g/mol
Monoisotopic mass: 229.0884979

Names & identifiers

Preferred name: N-Methoxy-N-methyl-N'-(3-isopropyl-5-isothiazolyl)urea
IUPAC: 1-methoxy-1-methyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea

Names & synonyms

N-Methoxy-N-methyl-N'-(3-isopropyl-5-isothiazolyl)ureaDTXSID3073717Urea, N-methoxy-N-methyl-N'-(3-(1-methylethyl)-5-isothiazolyl)-RefChem:364338DTXCID604896995882-55-6SCHEMBL11116736N-Methoxy-N-methyl-N'-[3-(propan-2-yl)-1,2-thiazol-5-yl]urea

Database identifiers

CAS: 95882-55-6
PubChem CID: 175649
DTXSID: DTXSID3073717

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 82.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 225

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