2-{4-Methyl-5-[2-(3-nitro-phenylamino)-pyrimidin-4-yl]-thiazol-2-ylamino}-ethanol

HCID 10109809
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Basic information

Standard SMILES
Cc1nc(NCCO)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1
InChIKey
BNQOMNUPAGJBQA-UHFFFAOYSA-N
Molecular formula
C16H16N6O3S
Average molar mass
372.4 g/mol

Names & identifiers

Preferred name
2-{4-Methyl-5-[2-(3-nitro-phenylamino)-pyrimidin-4-yl]-thiazol-2-ylamino}-ethanol
IUPAC
2-[[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]amino]ethanol

Names & synonyms

SCHEMBL4802052BNQOMNUPAGJBQA-UHFFFAOYSA-N2-{4-Methyl-5-[2-(3-nitro-phenylamino)-pyrimidin-4-yl]-thiazol-2-ylamino}-ethanol

Database identifiers

PubChem CID
10109809

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
157 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
26

Related reactions

5 records
New reaction record

Compound notes

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