2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole

C17H10F3N3O2S — CID 18516203

IUPAC2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1
InChIInChI=1S/C17H10F3N3O2S/c1-9-22-23-16(24-9)14-6-12-13(7-21-8-15(12)26-14)25-11-4-2-10(3-5-11)17(18,19)20/h2-8H,1H3
InChIKeyIMHKMKWSWHFKTM-UHFFFAOYSA-N
MW377.35 g/mol
LogP5.47
Rot. Bonds3

About 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole

2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole (PubChem CID 18516203) has the molecular formula C17H10F3N3O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
PubChem CID18516203
Molecular FormulaC17H10F3N3O2S
Molecular Weight377.35 g/mol
Exact Mass377.04
IUPAC Name2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1
InChIInChI=1S/C17H10F3N3O2S/c1-9-22-23-16(24-9)14-6-12-13(7-21-8-15(12)26-14)25-11-4-2-10(3-5-11)17(18,19)20/h2-8H,1H3
InChIKeyIMHKMKWSWHFKTM-UHFFFAOYSA-N
XLogP5.47
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.35
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-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 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole (CID 18516203) is 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole is Cc1nnc(-c2cc3c(Oc4ccc(C(F)(F)F)cc4)cncc3s2)o1.
What is the InChIKey of 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
The InChIKey is IMHKMKWSWHFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S/c1-9-22-23-16(24-9)14-6-12-13(7-21-8-15(12)26-14)25-11-4-2-10(3-5-11)17(18,19)20/h2-8H,1H3.
What are the key properties of 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole has a molecular weight of 377.35 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 18516203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).