2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxamide

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Basic information

CAS: 79936-05-3
Standard SMILES: NC(=O)c1csc(NC2OC(CO)C(O)C(O)C2O)n1
InChIKey: SMZZINFAYZDCIH-UHFFFAOYSA-N
Molecular formula: C10H15N3O6S
Average molar mass: 305.31 g/mol
Monoisotopic mass: 305.06815638

Names & identifiers

Preferred name: 2-[[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxamide
IUPAC: 2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxamide

Names & synonyms

NSC33471579936-05-32-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazole-4-carboxamideDTXSID10318749NSC-334715N-(4-Carbamoyl-1,3-thiazol-2-yl)hexopyranosylamineN-[4-(Aminocarbonyl)-1,3-thiazol-2-yl]hexopyranosylamine2-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]thiazole-4-carboxamide

Database identifiers

CAS: 79936-05-3
PubChem CID: 333499
DTXSID: DTXSID10318749

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 186 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 362

Related reactions

1 records

New reaction record

HRID 806253As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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