N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride

HCID 175667

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Basic information

CAS: 96018-10-9
Standard SMILES: CCC(C)N(C)C(=O)Nc1cc(-c2ccc(Cl)cc2)ns1.Cl
InChIKey: ZRSFNTVZXKDFLK-UHFFFAOYSA-N
Molecular formula: C15H19Cl2N3OS
Average molar mass: 360.3 g/mol
Monoisotopic mass: 359.0625888

Names & identifiers

Preferred name: N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochloride
IUPAC: 1-butan-2-yl-3-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-1-methylurea;hydrochloride

Names & synonyms

96018-10-9N'-(3-(4-Chlorophenyl)-5-isothiazolyl)-N-methyl-N-sec-butylurea monohydrochlorideN'-[3-(4-Chlorophenyl)-5-isothiazolyl]-N-methyl-N-sec-butylurea monohydrochlorideSCHEMBL11119903DTXSID10914684Urea, N'-(3-(4-chlorophenyl)-5-isothiazolyl)-N-methyl-N-(1-methylpropyl)-, monohydrochlorideN-(Butan-2-yl)-N'-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-N-methylurea--hydrogen chloride (1/1)N-Butan-2-yl-N'-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]-N-methylurea--hydrogen chloride (1/1)

Database identifiers

CAS: 96018-10-9
PubChem CID: 175667
DTXSID: DTXSID10914684

Properties

Computed structural properties

Topological polar surface area: 73.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 350

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