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

C14H13F3N2S — CID 16774509

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)10-1-2-12(11(18)7-10)19-5-3-13-9(8-19)4-6-20-13/h1-2,4,6-7H,3,5,8,18H2
InChIKeyMXBAIOIUAWCKHP-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.91
Rot. Bonds1

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline (PubChem CID 16774509) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
PubChem CID16774509
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCc2sccc2C1
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)10-1-2-12(11(18)7-10)19-5-3-13-9(8-19)4-6-20-13/h1-2,4,6-7H,3,5,8,18H2
InChIKeyMXBAIOIUAWCKHP-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747098
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 28889917
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 115468438
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
CID 58829519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720959
methyl 5-amino-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 61313257
5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile
CID 113238331
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
CID 55237151
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627017
3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 82800897

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline (CID 16774509) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline?
The InChIKey is MXBAIOIUAWCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c15-14(16,17)10-1-2-12(11(18)7-10)19-5-3-13-9(8-19)4-6-20-13/h1-2,4,6-7H,3,5,8,18H2.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline has a molecular weight of 298.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 16774509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).