1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile

C14H16N4OS — CID 535725

IUPAC1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile
SMILESCN1CCC2(CC1)C(C#N)=C1SCCN1C(=O)C2C#N
InChIInChI=1S/C14H16N4OS/c1-17-4-2-14(3-5-17)10(8-15)12(19)18-6-7-20-13(18)11(14)9-16/h10H,2-7H2,1H3
InChIKeyLZHMWWZOFAIHFV-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.16
Rot. Bonds

About 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile

1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile (PubChem CID 535725) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile.

Molecular Properties

Compound Name1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile
PubChem CID535725
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile
SMILESCN1CCC2(CC1)C(C#N)=C1SCCN1C(=O)C2C#N
InChIInChI=1S/C14H16N4OS/c1-17-4-2-14(3-5-17)10(8-15)12(19)18-6-7-20-13(18)11(14)9-16/h10H,2-7H2,1H3
InChIKeyLZHMWWZOFAIHFV-UHFFFAOYSA-N
XLogP1.16
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile?
The IUPAC name of 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile (CID 535725) is 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile.
What is the SMILES notation for 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile?
The canonical SMILES for 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile is CN1CCC2(CC1)C(C#N)=C1SCCN1C(=O)C2C#N.
What is the InChIKey of 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile?
The InChIKey is LZHMWWZOFAIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-17-4-2-14(3-5-17)10(8-15)12(19)18-6-7-20-13(18)11(14)9-16/h10H,2-7H2,1H3.
What are the key properties of 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile?
1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile has a molecular weight of 288.38 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-5-oxospiro[3,6-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-7,4'-piperidine]-6,8-dicarbonitrile is sourced from PubChem (CID 535725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).