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

C16H23N3O2S — CID 16867916

IUPACN-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C16H23N3O2S/c1-10-5-3-4-6-13(10)18-14(20)8-12-9-22-16-17-11(2)7-15(21)19(12)16/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,18,20)
InChIKeyZMODMPCSMJTFAO-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.28
Rot. Bonds3

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

N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16867916) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16867916
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C
InChIInChI=1S/C16H23N3O2S/c1-10-5-3-4-6-13(10)18-14(20)8-12-9-22-16-17-11(2)7-15(21)19(12)16/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,18,20)
InChIKeyZMODMPCSMJTFAO-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.28
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-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16867916) is N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is ZMODMPCSMJTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-5-3-4-6-13(10)18-14(20)8-12-9-22-16-17-11(2)7-15(21)19(12)16/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16867916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).