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

C17H25N3O2S — CID 16868255

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C17H25N3O2S/c1-3-12-8-16(22)20-13(10-23-17(20)18-12)9-15(21)19-14-7-5-4-6-11(14)2/h8,11,13-14H,3-7,9-10H2,1-2H3,(H,19,21)
InChIKeyOOOHBEOKGRJRMH-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.54
Rot. Bonds4

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

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 16868255) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID16868255
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C17H25N3O2S/c1-3-12-8-16(22)20-13(10-23-17(20)18-12)9-15(21)19-14-7-5-4-6-11(14)2/h8,11,13-14H,3-7,9-10H2,1-2H3,(H,19,21)
InChIKeyOOOHBEOKGRJRMH-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide (CID 16868255) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide is CCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is OOOHBEOKGRJRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-12-8-16(22)20-13(10-23-17(20)18-12)9-15(21)19-14-7-5-4-6-11(14)2/h8,11,13-14H,3-7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 16868255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).