N-(2-Amino-1-methyl-2-oxoethyl)-3-[4-(chloromethyl)-2-thiazolyl]benzamide

HCID 43545809

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Basic information

CAS: 1218025-05-8
Standard SMILES: CC(NC(=O)c1cccc(-c2nc(CCl)cs2)c1)C(N)=O
InChIKey: YMUMJEVPHWSRBT-UHFFFAOYSA-N
Molecular formula: C14H14ClN3O2S
Average molar mass: 323.8 g/mol
Monoisotopic mass: 323.0495256

Names & identifiers

Preferred name: N-(2-Amino-1-methyl-2-oxoethyl)-3-[4-(chloromethyl)-2-thiazolyl]benzamide
IUPAC: N-(1-amino-1-oxopropan-2-yl)-3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide

Names & synonyms

DTXSID301147648N-(2-Amino-1-methyl-2-oxoethyl)-3-[4-(chloromethyl)-2-thiazolyl]benzamide1218025-05-8N-(1-amino-1-oxopropan-2-yl)-3-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide

Database identifiers

CAS: 1218025-05-8
PubChem CID: 43545809
DTXSID: DTXSID301147648

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 113 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 396

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