4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid

C9H5ClN2O3S — CID 80693318

IUPAC4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Oc2cccnc2)nc1Cl
InChIInChI=1S/C9H5ClN2O3S/c10-7-6(8(13)14)16-9(12-7)15-5-2-1-3-11-4-5/h1-4H,(H,13,14)
InChIKeyGULQIZZBOHUKQM-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid

4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid (PubChem CID 80693318) has the molecular formula C9H5ClN2O3S and a molecular weight of 256.67 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
PubChem CID80693318
Molecular FormulaC9H5ClN2O3S
Molecular Weight256.67 g/mol
Exact Mass255.97
IUPAC Name4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Oc2cccnc2)nc1Cl
InChIInChI=1S/C9H5ClN2O3S/c10-7-6(8(13)14)16-9(12-7)15-5-2-1-3-11-4-5/h1-4H,(H,13,14)
InChIKeyGULQIZZBOHUKQM-UHFFFAOYSA-N
XLogP2.68
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol
CID 80692815
4-chloro-2-(3-cyanophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80693087
2-(4-carbamoylphenoxy)-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80692779
4-chloro-2-[4-(2-methoxyethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
CID 80693618
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 102989826
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
4-bromo-2-pyridin-3-yloxy-1,3-thiazole
CID 79398986
(3Z)-6-methylhepta-1,3,5-triene;2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid
CID 143275585
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid (CID 80693318) is 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Oc2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
The InChIKey is GULQIZZBOHUKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3S/c10-7-6(8(13)14)16-9(12-7)15-5-2-1-3-11-4-5/h1-4H,(H,13,14).
What are the key properties of 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid?
4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yloxy-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80693318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).