7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine

C16H12F3N5OS2 — CID 134202400

IUPAC7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2ncsc12
InChIInChI=1S/C16H12F3N5OS2/c1-3-27(25)13-11(20-6-10-12(13)26-7-22-10)15-23-9-4-8(16(17,18)19)5-21-14(9)24(15)2/h4-7H,3H2,1-2H3
InChIKeySSGYGAPSMCXVPJ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.79
Rot. Bonds3

About 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine

7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 134202400) has the molecular formula C16H12F3N5OS2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID134202400
Molecular FormulaC16H12F3N5OS2
Molecular Weight411.43 g/mol
Exact Mass411.04
IUPAC Name7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2ncsc12
InChIInChI=1S/C16H12F3N5OS2/c1-3-27(25)13-11(20-6-10-12(13)26-7-22-10)15-23-9-4-8(16(17,18)19)5-21-14(9)24(15)2/h4-7H,3H2,1-2H3
InChIKeySSGYGAPSMCXVPJ-UHFFFAOYSA-N
XLogP3.79
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806497
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
2-(5-cyclobutyl-3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 145101036
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
2-[3-ethylsulfonyl-5-(trimethoxymethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 118570981
6-(1,1-difluoroethyl)-3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine
CID 118581459
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
CID 171789668
1-[4-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile
CID 146290140
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
2-(5-ethyl-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 162488587
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899

Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 134202400) is 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine is CCS(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2ncsc12.
What is the InChIKey of 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is SSGYGAPSMCXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS2/c1-3-27(25)13-11(20-6-10-12(13)26-7-22-10)15-23-9-4-8(16(17,18)19)5-21-14(9)24(15)2/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine?
7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 411.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfinyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 134202400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).