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

C14H19N3O2S — CID 90508338

IUPACN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C14H19N3O2S/c1-3-4-5-12(18)15-7-6-11-9-20-14-16-10(2)8-13(19)17(11)14/h8-9H,3-7H2,1-2H3,(H,15,18)
InChIKeyUSLWDPKLFDFFCI-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.91
Rot. Bonds6

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

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide (PubChem CID 90508338) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide
PubChem CID90508338
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C14H19N3O2S/c1-3-4-5-12(18)15-7-6-11-9-20-14-16-10(2)8-13(19)17(11)14/h8-9H,3-7H2,1-2H3,(H,15,18)
InChIKeyUSLWDPKLFDFFCI-UHFFFAOYSA-N
XLogP1.91
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.91
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]pentanamide?
The IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide (CID 90508338) is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is USLWDPKLFDFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-4-5-12(18)15-7-6-11-9-20-14-16-10(2)8-13(19)17(11)14/h8-9H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide?
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]pentanamide has a molecular weight of 293.39 g/mol, XLogP of 1.91, 6 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]pentanamide is sourced from PubChem (CID 90508338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).