4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

C14H14N4O2S — CID 146077388

IUPAC4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCC(C)Cc1ncc(-c2nc(-c3cc[nH]c(=O)c3)no2)s1
InChIInChI=1S/C14H14N4O2S/c1-8(2)5-12-16-7-10(21-12)14-17-13(18-20-14)9-3-4-15-11(19)6-9/h3-4,6-8H,5H2,1-2H3,(H,15,19)
InChIKeyQCFGIWWAUWCFTA-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.75
Rot. Bonds4

About 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 146077388) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID146077388
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESCC(C)Cc1ncc(-c2nc(-c3cc[nH]c(=O)c3)no2)s1
InChIInChI=1S/C14H14N4O2S/c1-8(2)5-12-16-7-10(21-12)14-17-13(18-20-14)9-3-4-15-11(19)6-9/h3-4,6-8H,5H2,1-2H3,(H,15,19)
InChIKeyQCFGIWWAUWCFTA-UHFFFAOYSA-N
XLogP2.75
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 146077388) is 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is CC(C)Cc1ncc(-c2nc(-c3cc[nH]c(=O)c3)no2)s1.
What is the InChIKey of 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is QCFGIWWAUWCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8(2)5-12-16-7-10(21-12)14-17-13(18-20-14)9-3-4-15-11(19)6-9/h3-4,6-8H,5H2,1-2H3,(H,15,19).
What are the key properties of 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 302.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 146077388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).