2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C17H23N3O2S — CID 53019465

IUPAC2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCCc1csc2nc(C)c(NC(=O)CC3CCCCC3)c(=O)n12
InChIInChI=1S/C17H23N3O2S/c1-3-13-10-23-17-18-11(2)15(16(22)20(13)17)19-14(21)9-12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,19,21)
InChIKeyVTYFJLCHALPQHU-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.54
Rot. Bonds4

About 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 53019465) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID53019465
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCCc1csc2nc(C)c(NC(=O)CC3CCCCC3)c(=O)n12
InChIInChI=1S/C17H23N3O2S/c1-3-13-10-23-17-18-11(2)15(16(22)20(13)17)19-14(21)9-12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,19,21)
InChIKeyVTYFJLCHALPQHU-UHFFFAOYSA-N
XLogP3.54
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 53019465) is 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is CCc1csc2nc(C)c(NC(=O)CC3CCCCC3)c(=O)n12.
What is the InChIKey of 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is VTYFJLCHALPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-13-10-23-17-18-11(2)15(16(22)20(13)17)19-14(21)9-12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 53019465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).