7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H15N3O3S — CID 135853292

IUPAC7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S/c1-7(2)3-4-13-9(16)8-10(17)14-12-15(11(8)18)5-6-19-12/h5-7,17H,3-4H2,1-2H3,(H,13,16)
InChIKeyROQIQLVBMQCUPJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.24
Rot. Bonds4

About 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853292) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853292
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O3S/c1-7(2)3-4-13-9(16)8-10(17)14-12-15(11(8)18)5-6-19-12/h5-7,17H,3-4H2,1-2H3,(H,13,16)
InChIKeyROQIQLVBMQCUPJ-UHFFFAOYSA-N
XLogP1.24
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853292) is 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CCNC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ROQIQLVBMQCUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7(2)3-4-13-9(16)8-10(17)14-12-15(11(8)18)5-6-19-12/h5-7,17H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(3-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).