7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile

C14H8F3N3S — CID 135380001

IUPAC7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1cc(N)c2[nH]cc(-c3ccsc3C(F)(F)F)c2c1
InChIInChI=1S/C14H8F3N3S/c15-14(16,17)13-8(1-2-21-13)10-6-20-12-9(10)3-7(5-18)4-11(12)19/h1-4,6,20H,19H2
InChIKeyDJAAZLSJKZTIRB-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.37
Rot. Bonds1

About 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile

7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile (PubChem CID 135380001) has the molecular formula C14H8F3N3S and a molecular weight of 307.30 g/mol. Its IUPAC name is 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile
PubChem CID135380001
Molecular FormulaC14H8F3N3S
Molecular Weight307.30 g/mol
Exact Mass307.04
IUPAC Name7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1cc(N)c2[nH]cc(-c3ccsc3C(F)(F)F)c2c1
InChIInChI=1S/C14H8F3N3S/c15-14(16,17)13-8(1-2-21-13)10-6-20-12-9(10)3-7(5-18)4-11(12)19/h1-4,6,20H,19H2
InChIKeyDJAAZLSJKZTIRB-UHFFFAOYSA-N
XLogP4.37
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile (CID 135380001) is 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile is N#Cc1cc(N)c2[nH]cc(-c3ccsc3C(F)(F)F)c2c1.
What is the InChIKey of 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile?
The InChIKey is DJAAZLSJKZTIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3S/c15-14(16,17)13-8(1-2-21-13)10-6-20-12-9(10)3-7(5-18)4-11(12)19/h1-4,6,20H,19H2.
What are the key properties of 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile?
7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile has a molecular weight of 307.30 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[2-(trifluoromethyl)thiophen-3-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 135380001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).