2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H11F3N4S — CID 103704512

IUPAC2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCc1cnc(CNc2nc(C(F)(F)F)ccc2C#N)s1
InChIInChI=1S/C13H11F3N4S/c1-2-9-6-18-11(21-9)7-19-12-8(5-17)3-4-10(20-12)13(14,15)16/h3-4,6H,2,7H2,1H3,(H,19,20)
InChIKeyAIKMPUPKSNPWSF-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.60
Rot. Bonds4

About 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 103704512) has the molecular formula C13H11F3N4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID103704512
Molecular FormulaC13H11F3N4S
Molecular Weight312.32 g/mol
Exact Mass312.07
IUPAC Name2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCc1cnc(CNc2nc(C(F)(F)F)ccc2C#N)s1
InChIInChI=1S/C13H11F3N4S/c1-2-9-6-18-11(21-9)7-19-12-8(5-17)3-4-10(20-12)13(14,15)16/h3-4,6H,2,7H2,1H3,(H,19,20)
InChIKeyAIKMPUPKSNPWSF-UHFFFAOYSA-N
XLogP3.60
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile
CID 112755210
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 103853555
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 133326030
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877084
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965964
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
2-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]benzonitrile
CID 113338467

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 103704512) is 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CCc1cnc(CNc2nc(C(F)(F)F)ccc2C#N)s1.
What is the InChIKey of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is AIKMPUPKSNPWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4S/c1-2-9-6-18-11(21-9)7-19-12-8(5-17)3-4-10(20-12)13(14,15)16/h3-4,6H,2,7H2,1H3,(H,19,20).
What are the key properties of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 312.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 103704512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).