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

C16H21N3O2S — CID 16933469

IUPAC3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)CCC1CCCCC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(15(21)19-9-10-22-16(19)17-11)18-13(20)8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,18,20)
InChIKeySOYRGOIOGFECIA-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.36
Rot. Bonds4

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

3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (PubChem CID 16933469) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
PubChem CID16933469
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)CCC1CCCCC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(15(21)19-9-10-22-16(19)17-11)18-13(20)8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,18,20)
InChIKeySOYRGOIOGFECIA-UHFFFAOYSA-N
XLogP3.36
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (CID 16933469) is 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is Cc1nc2sccn2c(=O)c1NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The InChIKey is SOYRGOIOGFECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-14(15(21)19-9-10-22-16(19)17-11)18-13(20)8-7-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3,(H,18,20).
What are the key properties of 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 16933469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).