6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

C10H8N2O2S2 — CID 106903496

IUPAC6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CSc2nccs2)n1
InChIInChI=1S/C10H8N2O2S2/c13-9(14)8-3-1-2-7(12-8)6-16-10-11-4-5-15-10/h1-5H,6H2,(H,13,14)
InChIKeyOQRKGGBLCQXFPJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.53
Rot. Bonds4

About 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (PubChem CID 106903496) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
PubChem CID106903496
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CSc2nccs2)n1
InChIInChI=1S/C10H8N2O2S2/c13-9(14)8-3-1-2-7(12-8)6-16-10-11-4-5-15-10/h1-5H,6H2,(H,13,14)
InChIKeyOQRKGGBLCQXFPJ-UHFFFAOYSA-N
XLogP2.53
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397335
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
6-(2,3-dihydroxypropylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106903570
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903513
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 61220084
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903508
6-[(4-amino-2-bromophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903581
2-fluoro-4-(1,3-thiazol-2-ylsulfanylmethyl)benzoic acid
CID 106698607
6-(3-hydroxybutan-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 107770120
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (CID 106903496) is 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(CSc2nccs2)n1.
What is the InChIKey of 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The InChIKey is OQRKGGBLCQXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-9(14)8-3-1-2-7(12-8)6-16-10-11-4-5-15-10/h1-5H,6H2,(H,13,14).
What are the key properties of 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106903496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).