N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C18H27N3O2S — CID 16868445

IUPACN-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C18H27N3O2S/c1-3-6-13-9-17(23)21-14(11-24-18(21)19-13)10-16(22)20-15-8-5-4-7-12(15)2/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,20,22)
InChIKeyMRUYQXCHFGWXNR-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.93
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868445) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868445
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C18H27N3O2S/c1-3-6-13-9-17(23)21-14(11-24-18(21)19-13)10-16(22)20-15-8-5-4-7-12(15)2/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,20,22)
InChIKeyMRUYQXCHFGWXNR-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)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 N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868445) is N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is MRUYQXCHFGWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-3-6-13-9-17(23)21-14(11-24-18(21)19-13)10-16(22)20-15-8-5-4-7-12(15)2/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 349.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).