6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate

C17H10F3N2O2S- — CID 7164371

IUPAC6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1nc(C(F)(F)F)c(C(=O)[O-])cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H11F3N2O2S/c1-9-11(7-12(16(23)24)14(21-9)17(18,19)20)15-22-13(8-25-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,23,24)/p-1
InChIKeyAXBBYZUKIKQBNR-UHFFFAOYSA-M
MW363.34 g/mol
LogP3.56
Rot. Bonds3

About 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate

6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 7164371) has the molecular formula C17H10F3N2O2S- and a molecular weight of 363.34 g/mol. Its IUPAC name is 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID7164371
Molecular FormulaC17H10F3N2O2S-
Molecular Weight363.34 g/mol
Exact Mass363.04
IUPAC Name6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1nc(C(F)(F)F)c(C(=O)[O-])cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H11F3N2O2S/c1-9-11(7-12(16(23)24)14(21-9)17(18,19)20)15-22-13(8-25-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,23,24)/p-1
InChIKeyAXBBYZUKIKQBNR-UHFFFAOYSA-M
XLogP3.56
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 7164371) is 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate is Cc1nc(C(F)(F)F)c(C(=O)[O-])cc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is AXBBYZUKIKQBNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11F3N2O2S/c1-9-11(7-12(16(23)24)14(21-9)17(18,19)20)15-22-13(8-25-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,23,24)/p-1.
What are the key properties of 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 363.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 7164371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).