2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H12F3N3S — CID 2726259

IUPAC2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)Nc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H12F3N3S/c1-8(2)19-13-9(7-18)10(14(15,16)17)6-11(20-13)12-4-3-5-21-12/h3-6,8H,1-2H3,(H,19,20)
InChIKeyFCPHWTCSBJXRAJ-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.52
Rot. Bonds3

About 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2726259) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2726259
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)Nc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C14H12F3N3S/c1-8(2)19-13-9(7-18)10(14(15,16)17)6-11(20-13)12-4-3-5-21-12/h3-6,8H,1-2H3,(H,19,20)
InChIKeyFCPHWTCSBJXRAJ-UHFFFAOYSA-N
XLogP4.52
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2726259) is 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)Nc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FCPHWTCSBJXRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-8(2)19-13-9(7-18)10(14(15,16)17)6-11(20-13)12-4-3-5-21-12/h3-6,8H,1-2H3,(H,19,20).
What are the key properties of 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 311.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2726259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).