5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid

C13H14N2O3S — CID 79793804

IUPAC5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
SMILESCC(C)c1nc(COc2ccc(C(=O)O)nc2)cs1
InChIInChI=1S/C13H14N2O3S/c1-8(2)12-15-9(7-19-12)6-18-10-3-4-11(13(16)17)14-5-10/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyGXYNSBLLAJCVEH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.94
Rot. Bonds5

About 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid

5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79793804) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID79793804
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
SMILESCC(C)c1nc(COc2ccc(C(=O)O)nc2)cs1
InChIInChI=1S/C13H14N2O3S/c1-8(2)12-15-9(7-19-12)6-18-10-3-4-11(13(16)17)14-5-10/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyGXYNSBLLAJCVEH-UHFFFAOYSA-N
XLogP2.94
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-2-carboxylic acid
CID 79794069
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
CID 38866745
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
6-oxo-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxylic acid
CID 114696119
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid (CID 79793804) is 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid is CC(C)c1nc(COc2ccc(C(=O)O)nc2)cs1.
What is the InChIKey of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is GXYNSBLLAJCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8(2)12-15-9(7-19-12)6-18-10-3-4-11(13(16)17)14-5-10/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid?
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79793804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).