6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid

C14H12F3N3O3S — CID 119187058

IUPAC6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cccc(C(=O)O)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H12F3N3O3S/c1-2-7(12-20-10(6-24-12)14(15,16)17)19-11(21)8-4-3-5-9(18-8)13(22)23/h3-7H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyQOLXERFMWNHGEQ-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.14
Rot. Bonds5

About 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid

6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119187058) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119187058
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1cccc(C(=O)O)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H12F3N3O3S/c1-2-7(12-20-10(6-24-12)14(15,16)17)19-11(21)8-4-3-5-9(18-8)13(22)23/h3-7H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyQOLXERFMWNHGEQ-UHFFFAOYSA-N
XLogP3.14
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid (CID 119187058) is 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid is CCC(NC(=O)c1cccc(C(=O)O)n1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QOLXERFMWNHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-2-7(12-20-10(6-24-12)14(15,16)17)19-11(21)8-4-3-5-9(18-8)13(22)23/h3-7H,2H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid?
6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 359.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119187058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).