2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide

C17H25N3O2S — CID 16867753

IUPAC2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(NC(=O)CC2CSc3nccc(=O)n32)CC(C)(C)C1
InChIInChI=1S/C17H25N3O2S/c1-11-6-12(9-17(2,3)8-11)19-14(21)7-13-10-23-16-18-5-4-15(22)20(13)16/h4-5,11-13H,6-10H2,1-3H3,(H,19,21)
InChIKeyYSXDXKXOTLWRLQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.61
Rot. Bonds3

About 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide

2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide (PubChem CID 16867753) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
PubChem CID16867753
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide
SMILESCC1CC(NC(=O)CC2CSc3nccc(=O)n32)CC(C)(C)C1
InChIInChI=1S/C17H25N3O2S/c1-11-6-12(9-17(2,3)8-11)19-14(21)7-13-10-23-16-18-5-4-15(22)20(13)16/h4-5,11-13H,6-10H2,1-3H3,(H,19,21)
InChIKeyYSXDXKXOTLWRLQ-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide 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 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
The IUPAC name of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide (CID 16867753) is 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide is CC1CC(NC(=O)CC2CSc3nccc(=O)n32)CC(C)(C)C1.
What is the InChIKey of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
The InChIKey is YSXDXKXOTLWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-6-12(9-17(2,3)8-11)19-14(21)7-13-10-23-16-18-5-4-15(22)20(13)16/h4-5,11-13H,6-10H2,1-3H3,(H,19,21).
What are the key properties of 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide?
2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3,3,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 16867753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).