4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C18H14N4OS — CID 71141935

IUPAC4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1sc(-c2nc(-c3ccnc(N)c3)no2)cc1-c1ccccc1
InChIInChI=1S/C18H14N4OS/c1-11-14(12-5-3-2-4-6-12)10-15(24-11)18-21-17(22-23-18)13-7-8-20-16(19)9-13/h2-10H,1H3,(H2,19,20)
InChIKeyCGTPLNKOLHLTCF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.42
Rot. Bonds3

About 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71141935) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71141935
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1sc(-c2nc(-c3ccnc(N)c3)no2)cc1-c1ccccc1
InChIInChI=1S/C18H14N4OS/c1-11-14(12-5-3-2-4-6-12)10-15(24-11)18-21-17(22-23-18)13-7-8-20-16(19)9-13/h2-10H,1H3,(H2,19,20)
InChIKeyCGTPLNKOLHLTCF-UHFFFAOYSA-N
XLogP4.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine 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 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71141935) is 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Cc1sc(-c2nc(-c3ccnc(N)c3)no2)cc1-c1ccccc1.
What is the InChIKey of 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is CGTPLNKOLHLTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-14(12-5-3-2-4-6-12)10-15(24-11)18-21-17(22-23-18)13-7-8-20-16(19)9-13/h2-10H,1H3,(H2,19,20).
What are the key properties of 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 334.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71141935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).