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

C12H15N3O3S — CID 126471251

IUPACN-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H15N3O3S/c1-3-8(5-16)14-10(17)9-4-13-12-15(11(9)18)7(2)6-19-12/h4,6,8,16H,3,5H2,1-2H3,(H,14,17)
InChIKeyYGBCGPLNJUOUTF-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.57
Rot. Bonds4

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

N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471251) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471251
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CO)NC(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C12H15N3O3S/c1-3-8(5-16)14-10(17)9-4-13-12-15(11(9)18)7(2)6-19-12/h4,6,8,16H,3,5H2,1-2H3,(H,14,17)
InChIKeyYGBCGPLNJUOUTF-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471251) is N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(CO)NC(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YGBCGPLNJUOUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-8(5-16)14-10(17)9-4-13-12-15(11(9)18)7(2)6-19-12/h4,6,8,16H,3,5H2,1-2H3,(H,14,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).