4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine

C13H12F3N3S — CID 106747098

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1N1CCc2sccc2C1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)12-5-10(9(17)6-18-12)19-3-1-11-8(7-19)2-4-20-11/h2,4-6H,1,3,7,17H2
InChIKeyHQYWTVSLGBAPRU-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.31
Rot. Bonds1

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106747098) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106747098
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(C(F)(F)F)cc1N1CCc2sccc2C1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)12-5-10(9(17)6-18-12)19-3-1-11-8(7-19)2-4-20-11/h2,4-6H,1,3,7,17H2
InChIKeyHQYWTVSLGBAPRU-UHFFFAOYSA-N
XLogP3.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine with MolForge

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
CID 16774509
4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 115468438
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
4-(4-tert-butylpiperazin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747410
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]methanamine
CID 62299813
4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 106748146
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106747334
[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720959
4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine
CID 103552446
methyl 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 82790741

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 106747098) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine is Nc1cnc(C(F)(F)F)cc1N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is HQYWTVSLGBAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c14-13(15,16)12-5-10(9(17)6-18-12)19-3-1-11-8(7-19)2-4-20-11/h2,4-6H,1,3,7,17H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 299.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).