N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O3S — CID 17248440

IUPACN-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H17N3O3S/c1-7(6-19-4)15-11(17)10-5-14-13-16(12(10)18)8(2)9(3)20-13/h5,7H,6H2,1-4H3,(H,15,17)
InChIKeyBVKLYFSORMWCKP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.14
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248440) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248440
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H17N3O3S/c1-7(6-19-4)15-11(17)10-5-14-13-16(12(10)18)8(2)9(3)20-13/h5,7H,6H2,1-4H3,(H,15,17)
InChIKeyBVKLYFSORMWCKP-UHFFFAOYSA-N
XLogP1.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248440) is N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCC(C)NC(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BVKLYFSORMWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7(6-19-4)15-11(17)10-5-14-13-16(12(10)18)8(2)9(3)20-13/h5,7H,6H2,1-4H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).