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

C13H14N2O3S — CID 81446500

IUPAC3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
SMILESCC(C)c1nc(COc2cnccc2C(=O)O)cs1
InChIInChI=1S/C13H14N2O3S/c1-8(2)12-15-9(7-19-12)6-18-11-5-14-4-3-10(11)13(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyVYWBEHKTGHHSLU-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.94
Rot. Bonds5

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

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81446500) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81446500
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
SMILESCC(C)c1nc(COc2cnccc2C(=O)O)cs1
InChIInChI=1S/C13H14N2O3S/c1-8(2)12-15-9(7-19-12)6-18-11-5-14-4-3-10(11)13(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyVYWBEHKTGHHSLU-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-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
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CID 81438950
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
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5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79793804
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
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3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
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3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid (CID 81446500) is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid is CC(C)c1nc(COc2cnccc2C(=O)O)cs1.
What is the InChIKey of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is VYWBEHKTGHHSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8(2)12-15-9(7-19-12)6-18-11-5-14-4-3-10(11)13(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid?
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-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 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81446500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).