5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine

C22H16F3N3S — CID 24760510

IUPAC5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(-c3ccc(N)nc3)s2)n1
InChIInChI=1S/C22H16F3N3S/c1-13-10-16(14-2-5-17(6-3-14)22(23,24)25)11-18(28-13)20-8-7-19(29-20)15-4-9-21(26)27-12-15/h2-12H,1H3,(H2,26,27)
InChIKeyGNNZBCSDIMYEQH-UHFFFAOYSA-N
MW411.45 g/mol
LogP6.45
Rot. Bonds3

About 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine

5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine (PubChem CID 24760510) has the molecular formula C22H16F3N3S and a molecular weight of 411.45 g/mol. Its IUPAC name is 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
PubChem CID24760510
Molecular FormulaC22H16F3N3S
Molecular Weight411.45 g/mol
Exact Mass411.10
IUPAC Name5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(-c3ccc(N)nc3)s2)n1
InChIInChI=1S/C22H16F3N3S/c1-13-10-16(14-2-5-17(6-3-14)22(23,24)25)11-18(28-13)20-8-7-19(29-20)15-4-9-21(26)27-12-15/h2-12H,1H3,(H2,26,27)
InChIKeyGNNZBCSDIMYEQH-UHFFFAOYSA-N
XLogP6.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine?
The IUPAC name of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine (CID 24760510) is 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(-c3ccc(N)nc3)s2)n1.
What is the InChIKey of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine?
The InChIKey is GNNZBCSDIMYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3S/c1-13-10-16(14-2-5-17(6-3-14)22(23,24)25)11-18(28-13)20-8-7-19(29-20)15-4-9-21(26)27-12-15/h2-12H,1H3,(H2,26,27).
What are the key properties of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine?
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine has a molecular weight of 411.45 g/mol, XLogP of 6.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine is sourced from PubChem (CID 24760510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).