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

C15H19N3O3S — CID 135853359

IUPAC7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NC3CCCCC3C)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-8-5-3-4-6-10(8)16-12(19)11-13(20)17-15-18(14(11)21)9(2)7-22-15/h7-8,10,20H,3-6H2,1-2H3,(H,16,19)
InChIKeyVHJWYQIJMNAZQQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.08
Rot. Bonds2

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

7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853359) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853359
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NC3CCCCC3C)c(=O)n12
InChIInChI=1S/C15H19N3O3S/c1-8-5-3-4-6-10(8)16-12(19)11-13(20)17-15-18(14(11)21)9(2)7-22-15/h7-8,10,20H,3-6H2,1-2H3,(H,16,19)
InChIKeyVHJWYQIJMNAZQQ-UHFFFAOYSA-N
XLogP2.08
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853359) is 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NC3CCCCC3C)c(=O)n12.
What is the InChIKey of 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VHJWYQIJMNAZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-8-5-3-4-6-10(8)16-12(19)11-13(20)17-15-18(14(11)21)9(2)7-22-15/h7-8,10,20H,3-6H2,1-2H3,(H,16,19).
What are the key properties of 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).