6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H19N5O3S — CID 91946391

IUPAC6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(-c2noc(C3CCN(C(=O)c4cnc5sccn5c4=O)CC3)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-13-2-4-14(5-3-13)17-23-18(29-24-17)15-6-8-25(9-7-15)19(27)16-12-22-21-26(20(16)28)10-11-30-21/h2-5,10-12,15H,6-9H2,1H3
InChIKeyZSCDJRORGMNZOI-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.13
Rot. Bonds3

About 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91946391) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91946391
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(-c2noc(C3CCN(C(=O)c4cnc5sccn5c4=O)CC3)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-13-2-4-14(5-3-13)17-23-18(29-24-17)15-6-8-25(9-7-15)19(27)16-12-22-21-26(20(16)28)10-11-30-21/h2-5,10-12,15H,6-9H2,1H3
InChIKeyZSCDJRORGMNZOI-UHFFFAOYSA-N
XLogP3.13
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91946391) is 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(-c2noc(C3CCN(C(=O)c4cnc5sccn5c4=O)CC3)n2)cc1.
What is the InChIKey of 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZSCDJRORGMNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-13-2-4-14(5-3-13)17-23-18(29-24-17)15-6-8-25(9-7-15)19(27)16-12-22-21-26(20(16)28)10-11-30-21/h2-5,10-12,15H,6-9H2,1H3.
What are the key properties of 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 421.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91946391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).