5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid

C10H6N2O4S — CID 117218877

IUPAC5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
SMILESO=C(O)c1cnsc1C(=O)Oc1cccnc1
InChIInChI=1S/C10H6N2O4S/c13-9(14)7-5-12-17-8(7)10(15)16-6-2-1-3-11-4-6/h1-5H,(H,13,14)
InChIKeyZJSOYWYLDWFWKX-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.46
Rot. Bonds3

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

5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid (PubChem CID 117218877) has the molecular formula C10H6N2O4S and a molecular weight of 250.24 g/mol. Its IUPAC name is 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
PubChem CID117218877
Molecular FormulaC10H6N2O4S
Molecular Weight250.24 g/mol
Exact Mass250.00
IUPAC Name5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
SMILESO=C(O)c1cnsc1C(=O)Oc1cccnc1
InChIInChI=1S/C10H6N2O4S/c13-9(14)7-5-12-17-8(7)10(15)16-6-2-1-3-11-4-6/h1-5H,(H,13,14)
InChIKeyZJSOYWYLDWFWKX-UHFFFAOYSA-N
XLogP1.46
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-oxo-4-pyridin-3-yloxybut-2-enoic acid
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2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
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3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
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pyridin-3-yl 5-bromofuran-2-carboxylate
CID 5244119
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 67872823
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
4-pyridin-3-yloxybenzoic acid
CID 22261667
2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
CID 70438795
pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
CID 117215308

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid (CID 117218877) is 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid is O=C(O)c1cnsc1C(=O)Oc1cccnc1.
What is the InChIKey of 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is ZJSOYWYLDWFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S/c13-9(14)7-5-12-17-8(7)10(15)16-6-2-1-3-11-4-6/h1-5H,(H,13,14).
What are the key properties of 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid?
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 117218877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).