3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile

C13H6F3N3S2 — CID 629766

IUPAC3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C13H6F3N3S2/c14-13(15,16)6-4-7(8-2-1-3-20-8)19-12-10(6)11(18)9(5-17)21-12/h1-4H,18H2
InChIKeyIIZMCYUXZYKWKG-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.50
Rot. Bonds1

About 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 629766) has the molecular formula C13H6F3N3S2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID629766
Molecular FormulaC13H6F3N3S2
Molecular Weight325.34 g/mol
Exact Mass325.00
IUPAC Name3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C13H6F3N3S2/c14-13(15,16)6-4-7(8-2-1-3-20-8)19-12-10(6)11(18)9(5-17)21-12/h1-4H,18H2
InChIKeyIIZMCYUXZYKWKG-UHFFFAOYSA-N
XLogP4.50
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2,3-diamine
CID 143534703
5-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-3H-1,3,4-oxadiazole-2-thione
CID 139220948
2-[(R)-octylsulfinyl]-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 92905376
4-[[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 54579808
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2254947
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1022441
6-hydroxy-11-thiophen-2-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 54679258
2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726258
2-(2-aminophenyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726264
2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2726259

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 629766) is 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is IIZMCYUXZYKWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3S2/c14-13(15,16)6-4-7(8-2-1-3-20-8)19-12-10(6)11(18)9(5-17)21-12/h1-4H,18H2.
What are the key properties of 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 325.34 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 629766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).