2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium

C19H20F3N4OS+ — CID 7349473

IUPAC2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C19H19F3N4OS/c1-26(2)9-8-24-17(27)16-15(23)14-12(19(20,21)22)10-13(25-18(14)28-16)11-6-4-3-5-7-11/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)/p+1
InChIKeyRLPKUKUTIUFMHT-UHFFFAOYSA-O
MW409.46 g/mol
LogP2.44
Rot. Bonds5

About 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium

2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium (PubChem CID 7349473) has the molecular formula C19H20F3N4OS+ and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
PubChem CID7349473
Molecular FormulaC19H20F3N4OS+
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C19H19F3N4OS/c1-26(2)9-8-24-17(27)16-15(23)14-12(19(20,21)22)10-13(25-18(14)28-16)11-6-4-3-5-7-11/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)/p+1
InChIKeyRLPKUKUTIUFMHT-UHFFFAOYSA-O
XLogP2.44
TPSA72.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium 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-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-Amino-N-(4-fluorophenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 5175738
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium (CID 7349473) is 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium?
The InChIKey is RLPKUKUTIUFMHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19F3N4OS/c1-26(2)9-8-24-17(27)16-15(23)14-12(19(20,21)22)10-13(25-18(14)28-16)11-6-4-3-5-7-11/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)/p+1.
What are the key properties of 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium?
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium has a molecular weight of 409.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7349473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).