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

C13H17N3O3S — CID 126469233

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O3S/c1-7(2)10(5-17)15-11(18)9-4-14-13-16(12(9)19)8(3)6-20-13/h4,6-7,10,17H,5H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyJDXXJMNKFKFJCY-SNVBAGLBSA-N
MW295.36 g/mol
LogP0.81
Rot. Bonds4

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469233) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469233
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O3S/c1-7(2)10(5-17)15-11(18)9-4-14-13-16(12(9)19)8(3)6-20-13/h4,6-7,10,17H,5H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyJDXXJMNKFKFJCY-SNVBAGLBSA-N
XLogP0.81
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469233) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)N[C@H](CO)C(C)C)c(=O)n12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JDXXJMNKFKFJCY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7(2)10(5-17)15-11(18)9-4-14-13-16(12(9)19)8(3)6-20-13/h4,6-7,10,17H,5H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).