2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid

C13H14FN3O2S — CID 105382066

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
SMILESCC(C)(C)c1csc(Nc2nccc(C(=O)O)c2F)n1
InChIInChI=1S/C13H14FN3O2S/c1-13(2,3)8-6-20-12(16-8)17-10-9(14)7(11(18)19)4-5-15-10/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyZRTCEMSQOSXPHR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.42
Rot. Bonds3

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid

2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382066) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382066
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
SMILESCC(C)(C)c1csc(Nc2nccc(C(=O)O)c2F)n1
InChIInChI=1S/C13H14FN3O2S/c1-13(2,3)8-6-20-12(16-8)17-10-9(14)7(11(18)19)4-5-15-10/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyZRTCEMSQOSXPHR-UHFFFAOYSA-N
XLogP3.42
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
CID 54960658
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 114919380
5-[(4-tert-butyl-1,3-thiazol-2-yl)amino]furan-2-carboxylic acid
CID 62206727
3-fluoro-2-(pyrimidin-5-ylamino)pyridine-4-carboxylic acid
CID 107588904
3-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyridine-4-carboxylic acid
CID 105382529
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
3-fluoro-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 105382475
methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
CID 114405863
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid (CID 105382066) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid is CC(C)(C)c1csc(Nc2nccc(C(=O)O)c2F)n1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is ZRTCEMSQOSXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-13(2,3)8-6-20-12(16-8)17-10-9(14)7(11(18)19)4-5-15-10/h4-6H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid?
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).