4-Thiazolecarboxamide, 2-methyl-N-[2-(nitrooxy)ethyl]-

HCID 129403

Notes Reactions

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Basic information

CAS: 121261-50-5
Standard SMILES: Cc1nc(C(=O)NCCO[N+](=O)[O-])cs1
InChIKey: RIIGJBMAJBLGOX-UHFFFAOYSA-N
Molecular formula: C7H9N3O4S
Average molar mass: 231.23 g/mol
Monoisotopic mass: 231.03137695

Names & identifiers

Preferred name: 4-Thiazolecarboxamide, 2-methyl-N-[2-(nitrooxy)ethyl]-
IUPAC: 2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl nitrate

Names & synonyms

121261-50-54-Thiazolecarboxamide, 2-methyl-N-[2-(nitrooxy)ethyl]-SCHEMBL9328726DTXSID30276312RIIGJBMAJBLGOX-UHFFFAOYSA-NN-(2-Nitrooxyethyl)-2-methyl-4-thiazolecarboxamide2-(2-Methyl-1,3-thiazole-4-carboxamido)ethyl nitrate

Database identifiers

CAS: 121261-50-5
PubChem CID: 129403
DTXSID: DTXSID30276312
Nikkaji: J489.987C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 125 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 245

Related reactions

2 records

New reaction record

HRID 1085499As reactantuspto-grants-1991_04

HRID 1650189As reactantuspto-grants-1990_05

Compound notes

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