2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane

C21H20F5N3O2S — CID 167489855

IUPAC2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane
SMILESCC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1ccc(F)cc1F
InChIInChI=1S/C19H14F5N3O2S.C2H6/c1-8(2)14-15(11-4-3-10(20)6-13(11)21)30-18(26-14)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;1-2/h3-8H,1-2H3,(H,28,29)(H,25,26,27);1-2H3
InChIKeyFTGOAVBBTVCCEJ-UHFFFAOYSA-N
MW473.47 g/mol
LogP7.09
Rot. Bonds5

About 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane

2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane (PubChem CID 167489855) has the molecular formula C21H20F5N3O2S and a molecular weight of 473.47 g/mol. Its IUPAC name is 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane
PubChem CID167489855
Molecular FormulaC21H20F5N3O2S
Molecular Weight473.47 g/mol
Exact Mass473.12
IUPAC Name2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane
SMILESCC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1ccc(F)cc1F
InChIInChI=1S/C19H14F5N3O2S.C2H6/c1-8(2)14-15(11-4-3-10(20)6-13(11)21)30-18(26-14)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;1-2/h3-8H,1-2H3,(H,28,29)(H,25,26,27);1-2H3
InChIKeyFTGOAVBBTVCCEJ-UHFFFAOYSA-N
XLogP7.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.47
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(5-phenylthiophen-2-yl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 167489841
2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 155452536
2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 90093440
ethane;methyl 2-[[4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156849541
2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
CID 167489803
2-[[5-(2-methylpropyl)-4-(4-thiophen-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849050
2-[[4-(3-ethenyl-4-propylphenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156850169
2-[[4-(4-aminophenyl)-5-cyclopropyl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 156849600
CID 167489882
CID 167489882
2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 166023431
2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(3-fluorophenyl)pyridine-3-carboxylic acid
CID 156849628
2-[[5-cyclopropyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 166023308

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane?
The IUPAC name of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane (CID 167489855) is 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane is CC.CC(C)c1nc(Nc2ncc(C(F)(F)F)cc2C(=O)O)sc1-c1ccc(F)cc1F.
What is the InChIKey of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane?
The InChIKey is FTGOAVBBTVCCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2S.C2H6/c1-8(2)14-15(11-4-3-10(20)6-13(11)21)30-18(26-14)27-16-12(17(28)29)5-9(7-25-16)19(22,23)24;1-2/h3-8H,1-2H3,(H,28,29)(H,25,26,27);1-2H3.
What are the key properties of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane?
2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane has a molecular weight of 473.47 g/mol, XLogP of 7.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 167489855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).