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

C14H8F3N3O2S2 — CID 171646368

IUPAC5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)cnc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H8F3N3O2S2/c15-14(16,17)10-6-24-13(19-10)20-11-8(12(21)22)4-7(5-18-11)9-2-1-3-23-9/h1-6H,(H,21,22)(H,18,19,20)
InChIKeyHFDBQUOLVQVQPG-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.73
Rot. Bonds4

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

5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 171646368) has the molecular formula C14H8F3N3O2S2 and a molecular weight of 371.37 g/mol. Its IUPAC name is 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID171646368
Molecular FormulaC14H8F3N3O2S2
Molecular Weight371.37 g/mol
Exact Mass371.00
IUPAC Name5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)cnc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H8F3N3O2S2/c15-14(16,17)10-6-24-13(19-10)20-11-8(12(21)22)4-7(5-18-11)9-2-1-3-23-9/h1-6H,(H,21,22)(H,18,19,20)
InChIKeyHFDBQUOLVQVQPG-UHFFFAOYSA-N
XLogP4.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (CID 171646368) is 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)cnc1Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is HFDBQUOLVQVQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S2/c15-14(16,17)10-6-24-13(19-10)20-11-8(12(21)22)4-7(5-18-11)9-2-1-3-23-9/h1-6H,(H,21,22)(H,18,19,20).
What are the key properties of 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 371.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 171646368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).