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

C15H19N3O2S — CID 4065897

IUPAC3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC3CCCCC3C)c(=O)n12
InChIInChI=1S/C15H19N3O2S/c1-9-5-3-4-6-12(9)17-13(19)11-7-16-15-18(14(11)20)10(2)8-21-15/h7-9,12H,3-6H2,1-2H3,(H,17,19)
InChIKeyPICAHHLKBRPAKP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.37
Rot. Bonds2

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

3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4065897) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4065897
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC3CCCCC3C)c(=O)n12
InChIInChI=1S/C15H19N3O2S/c1-9-5-3-4-6-12(9)17-13(19)11-7-16-15-18(14(11)20)10(2)8-21-15/h7-9,12H,3-6H2,1-2H3,(H,17,19)
InChIKeyPICAHHLKBRPAKP-UHFFFAOYSA-N
XLogP2.37
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4065897) is 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NC3CCCCC3C)c(=O)n12.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PICAHHLKBRPAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-5-3-4-6-12(9)17-13(19)11-7-16-15-18(14(11)20)10(2)8-21-15/h7-9,12H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4065897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).