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

C14H19N3O2S — CID 90508340

IUPAC3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide
SMILESCc1cc(=O)n2c(CCNC(=O)CC(C)C)csc2n1
InChIInChI=1S/C14H19N3O2S/c1-9(2)6-12(18)15-5-4-11-8-20-14-16-10(3)7-13(19)17(11)14/h7-9H,4-6H2,1-3H3,(H,15,18)
InChIKeyLVZSQSCAOKHABV-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.77
Rot. Bonds5

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

3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide (PubChem CID 90508340) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide
PubChem CID90508340
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide
SMILESCc1cc(=O)n2c(CCNC(=O)CC(C)C)csc2n1
InChIInChI=1S/C14H19N3O2S/c1-9(2)6-12(18)15-5-4-11-8-20-14-16-10(3)7-13(19)17(11)14/h7-9H,4-6H2,1-3H3,(H,15,18)
InChIKeyLVZSQSCAOKHABV-UHFFFAOYSA-N
XLogP1.77
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide (CID 90508340) is 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide is Cc1cc(=O)n2c(CCNC(=O)CC(C)C)csc2n1.
What is the InChIKey of 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
The InChIKey is LVZSQSCAOKHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(2)6-12(18)15-5-4-11-8-20-14-16-10(3)7-13(19)17(11)14/h7-9H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide?
3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide has a molecular weight of 293.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]butanamide is sourced from PubChem (CID 90508340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).