2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C15H12F3N3S — CID 170875365

IUPAC2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNCc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H12F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,7,19-20H2
InChIKeyVLVLZBKKGOLZHE-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.02
Rot. Bonds2

About 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 170875365) has the molecular formula C15H12F3N3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
PubChem CID170875365
Molecular FormulaC15H12F3N3S
Molecular Weight323.34 g/mol
Exact Mass323.07
IUPAC Name2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNCc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H12F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,7,19-20H2
InChIKeyVLVLZBKKGOLZHE-UHFFFAOYSA-N
XLogP4.02
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
11-phenyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 13499684
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
CID 7349473
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 4251194
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1157649
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005350
3-amino-N-(4-ethoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1341827
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005110
3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474
6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2,3-diamine
CID 143534703
methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462
[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134994

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 170875365) is 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is NCc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is VLVLZBKKGOLZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,7,19-20H2.
What are the key properties of 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 323.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 170875365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).