4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C14H16F3N3S — CID 106747925

IUPAC4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)(CNc1cc(C(F)(F)F)ncc1N)c1cccs1
InChIInChI=1S/C14H16F3N3S/c1-13(2,12-4-3-5-21-12)8-20-10-6-11(14(15,16)17)19-7-9(10)18/h3-7H,8,18H2,1-2H3,(H,19,20)
InChIKeyKPSVKTTUGQENNE-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.13
Rot. Bonds4

About 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747925) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747925
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC(C)(CNc1cc(C(F)(F)F)ncc1N)c1cccs1
InChIInChI=1S/C14H16F3N3S/c1-13(2,12-4-3-5-21-12)8-20-10-6-11(14(15,16)17)19-7-9(10)18/h3-7H,8,18H2,1-2H3,(H,19,20)
InChIKeyKPSVKTTUGQENNE-UHFFFAOYSA-N
XLogP4.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747925) is 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is CC(C)(CNc1cc(C(F)(F)F)ncc1N)c1cccs1.
What is the InChIKey of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is KPSVKTTUGQENNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-13(2,12-4-3-5-21-12)8-20-10-6-11(14(15,16)17)19-7-9(10)18/h3-7H,8,18H2,1-2H3,(H,19,20).
What are the key properties of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 315.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).