N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide

C16H23N3O2S — CID 16933578

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C16H23N3O2S/c1-5-7-12(8-6-2)14(20)18-13-11(4)17-16-19(15(13)21)10(3)9-22-16/h9,12H,5-8H2,1-4H3,(H,18,20)
InChIKeyIXNGHMLECLTVDS-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.53
Rot. Bonds6

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide (PubChem CID 16933578) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide
PubChem CID16933578
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C16H23N3O2S/c1-5-7-12(8-6-2)14(20)18-13-11(4)17-16-19(15(13)21)10(3)9-22-16/h9,12H,5-8H2,1-4H3,(H,18,20)
InChIKeyIXNGHMLECLTVDS-UHFFFAOYSA-N
XLogP3.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide (CID 16933578) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1c(C)nc2scc(C)n2c1=O.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
The InChIKey is IXNGHMLECLTVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-5-7-12(8-6-2)14(20)18-13-11(4)17-16-19(15(13)21)10(3)9-22-16/h9,12H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide has a molecular weight of 321.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-propylpentanamide is sourced from PubChem (CID 16933578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).