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

C17H25N3O2S — CID 90508343

IUPACN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C17H25N3O2S/c1-4-6-13(7-5-2)16(22)18-9-8-14-11-23-17-19-12(3)10-15(21)20(14)17/h10-11,13H,4-9H2,1-3H3,(H,18,22)
InChIKeyIHNVDRTVUABKFO-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.94
Rot. Bonds8

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

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide (PubChem CID 90508343) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide
PubChem CID90508343
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C17H25N3O2S/c1-4-6-13(7-5-2)16(22)18-9-8-14-11-23-17-19-12(3)10-15(21)20(14)17/h10-11,13H,4-9H2,1-3H3,(H,18,22)
InChIKeyIHNVDRTVUABKFO-UHFFFAOYSA-N
XLogP2.94
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide?
The IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide (CID 90508343) is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide.
What is the SMILES notation for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide?
The canonical SMILES for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCCc1csc2nc(C)cc(=O)n12.
What is the InChIKey of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide?
The InChIKey is IHNVDRTVUABKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-6-13(7-5-2)16(22)18-9-8-14-11-23-17-19-12(3)10-15(21)20(14)17/h10-11,13H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide?
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide has a molecular weight of 335.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide is sourced from PubChem (CID 90508343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).