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

C18H27N3O2S — CID 16868635

IUPACN-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C18H27N3O2S/c1-11(2)15-9-17(23)21-13(10-24-18(21)20-15)8-16(22)19-14-7-5-4-6-12(14)3/h9,11-14H,4-8,10H2,1-3H3,(H,19,22)
InChIKeyJNGVTVPJQQYNTH-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.10
Rot. Bonds4

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

N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868635) 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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868635
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C18H27N3O2S/c1-11(2)15-9-17(23)21-13(10-24-18(21)20-15)8-16(22)19-14-7-5-4-6-12(14)3/h9,11-14H,4-8,10H2,1-3H3,(H,19,22)
InChIKeyJNGVTVPJQQYNTH-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868635) is N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is JNGVTVPJQQYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-11(2)15-9-17(23)21-13(10-24-18(21)20-15)8-16(22)19-14-7-5-4-6-12(14)3/h9,11-14H,4-8,10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(2-methylcyclohexyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 349.50 g/mol, XLogP of 3.10, 4 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-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).