N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine

C12H11F3N2S — CID 134417415

IUPACN,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine
SMILESCNc1ncc(-c2ccc(C(F)(F)F)s2)cc1C
InChIInChI=1S/C12H11F3N2S/c1-7-5-8(6-17-11(7)16-2)9-3-4-10(18-9)12(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyQTGJDWYXSGYBFB-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.18
Rot. Bonds2

About N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine

N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine (PubChem CID 134417415) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine
PubChem CID134417415
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine
SMILESCNc1ncc(-c2ccc(C(F)(F)F)s2)cc1C
InChIInChI=1S/C12H11F3N2S/c1-7-5-8(6-17-11(7)16-2)9-3-4-10(18-9)12(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyQTGJDWYXSGYBFB-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
2-(2-Thenylamino)pyridine
CID 67323
N-(2-thienyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814320
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726257
N-methyl-5-phenyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135407408
N-(thiophen-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3233382
5-(2-methylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3234686
5-(4-Pyridin-3-ylthiophen-2-yl)pyridin-2-amine
CID 145991505
5-cyclopentyl-N-methyl-3-(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135508250
3,5-Difluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine-2,6-diamine
CID 118903771

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine?
The IUPAC name of N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine (CID 134417415) is N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine is CNc1ncc(-c2ccc(C(F)(F)F)s2)cc1C.
What is the InChIKey of N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine?
The InChIKey is QTGJDWYXSGYBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-7-5-8(6-17-11(7)16-2)9-3-4-10(18-9)12(13,14)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine?
N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine has a molecular weight of 272.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyridin-2-amine is sourced from PubChem (CID 134417415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).