N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide

C15H19N3O2S — CID 16933522

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C15H19N3O2S/c1-9-8-21-15-16-10(2)12(14(20)18(9)15)17-13(19)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,17,19)
InChIKeyRWWSWUHSJMVJNT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.89
Rot. Bonds2

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide (PubChem CID 16933522) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide
PubChem CID16933522
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCCC1
InChIInChI=1S/C15H19N3O2S/c1-9-8-21-15-16-10(2)12(14(20)18(9)15)17-13(19)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,17,19)
InChIKeyRWWSWUHSJMVJNT-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide (CID 16933522) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
The InChIKey is RWWSWUHSJMVJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-8-21-15-16-10(2)12(14(20)18(9)15)17-13(19)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 16933522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).