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

C16H14FN3O2S2 — CID 171646330

IUPAC2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCC(C)(F)c1csc(Nc2ncc(-c3cccs3)cc2C(=O)O)n1
InChIInChI=1S/C16H14FN3O2S2/c1-16(2,17)12-8-24-15(19-12)20-13-10(14(21)22)6-9(7-18-13)11-4-3-5-23-11/h3-8H,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyLPFOKHGFUXTYLM-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.91
Rot. Bonds5

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

2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 171646330) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID171646330
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC Name2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCC(C)(F)c1csc(Nc2ncc(-c3cccs3)cc2C(=O)O)n1
InChIInChI=1S/C16H14FN3O2S2/c1-16(2,17)12-8-24-15(19-12)20-13-10(14(21)22)6-9(7-18-13)11-4-3-5-23-11/h3-8H,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyLPFOKHGFUXTYLM-UHFFFAOYSA-N
XLogP4.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid (CID 171646330) is 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid is CC(C)(F)c1csc(Nc2ncc(-c3cccs3)cc2C(=O)O)n1.
What is the InChIKey of 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is LPFOKHGFUXTYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c1-16(2,17)12-8-24-15(19-12)20-13-10(14(21)22)6-9(7-18-13)11-4-3-5-23-11/h3-8H,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid?
2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 363.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluoropropan-2-yl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 171646330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).