2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C24H17F3N4O2S — CID 166023431

IUPAC2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3ccccn3)cc2)c(C2CC2)s1
InChIInChI=1S/C24H17F3N4O2S/c25-24(26,27)16-11-17(22(32)33)21(29-12-16)31-23-30-19(20(34-23)15-8-9-15)14-6-4-13(5-7-14)18-3-1-2-10-28-18/h1-7,10-12,15H,8-9H2,(H,32,33)(H,29,30,31)
InChIKeyKEQMGXQHOOCXBP-UHFFFAOYSA-N
MW482.49 g/mol
LogP6.61
Rot. Bonds6

About 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 166023431) has the molecular formula C24H17F3N4O2S and a molecular weight of 482.49 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID166023431
Molecular FormulaC24H17F3N4O2S
Molecular Weight482.49 g/mol
Exact Mass482.10
IUPAC Name2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3ccccn3)cc2)c(C2CC2)s1
InChIInChI=1S/C24H17F3N4O2S/c25-24(26,27)16-11-17(22(32)33)21(29-12-16)31-23-30-19(20(34-23)15-8-9-15)14-6-4-13(5-7-14)18-3-1-2-10-28-18/h1-7,10-12,15H,8-9H2,(H,32,33)(H,29,30,31)
InChIKeyKEQMGXQHOOCXBP-UHFFFAOYSA-N
XLogP6.61
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 166023431) is 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-c3ccccn3)cc2)c(C2CC2)s1.
What is the InChIKey of 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is KEQMGXQHOOCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2S/c25-24(26,27)16-11-17(22(32)33)21(29-12-16)31-23-30-19(20(34-23)15-8-9-15)14-6-4-13(5-7-14)18-3-1-2-10-28-18/h1-7,10-12,15H,8-9H2,(H,32,33)(H,29,30,31).
What are the key properties of 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 482.49 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-4-(4-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 166023431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).