3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole

C19H14N4OS — CID 53035981

IUPAC3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)nc1
InChIInChI=1S/C19H14N4OS/c1-2-10-20-15(3-1)18-22-17(23-24-18)13-6-4-12(5-7-13)16-11-25-19(21-16)14-8-9-14/h1-7,10-11,14H,8-9H2
InChIKeyCCIPFRKDIIBTOO-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.80
Rot. Bonds4

About 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole

3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 53035981) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID53035981
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)nc1
InChIInChI=1S/C19H14N4OS/c1-2-10-20-15(3-1)18-22-17(23-24-18)13-6-4-12(5-7-13)16-11-25-19(21-16)14-8-9-14/h1-7,10-11,14H,8-9H2
InChIKeyCCIPFRKDIIBTOO-UHFFFAOYSA-N
XLogP4.80
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole (CID 53035981) is 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(-c2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)nc1.
What is the InChIKey of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is CCIPFRKDIIBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-2-10-20-15(3-1)18-22-17(23-24-18)13-6-4-12(5-7-13)16-11-25-19(21-16)14-8-9-14/h1-7,10-11,14H,8-9H2.
What are the key properties of 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 346.42 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53035981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).