2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid

C14H10N2O2S — CID 107470209

IUPAC2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
SMILESCc1cncc(-c2nc3ccc(C(=O)O)cc3s2)c1
InChIInChI=1S/C14H10N2O2S/c1-8-4-10(7-15-6-8)13-16-11-3-2-9(14(17)18)5-12(11)19-13/h2-7H,1H3,(H,17,18)
InChIKeyMWPIIKSVSBWLRP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.36
Rot. Bonds2

About 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid

2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid (PubChem CID 107470209) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
PubChem CID107470209
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
SMILESCc1cncc(-c2nc3ccc(C(=O)O)cc3s2)c1
InChIInChI=1S/C14H10N2O2S/c1-8-4-10(7-15-6-8)13-16-11-3-2-9(14(17)18)5-12(11)19-13/h2-7H,1H3,(H,17,18)
InChIKeyMWPIIKSVSBWLRP-UHFFFAOYSA-N
XLogP3.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470389
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 164874884
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
2-(5-bromo-3-pyridinyl)-1,3-benzothiazole-6-carbonyl chloride
CID 95909714
2-(3,4,5-trifluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470249
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
2-(5-bromothiophen-3-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107970768
2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107470253
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-[5-(6-carbamimidoyl-1,3-benzothiazol-2-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboximidamide
CID 70694824

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid (CID 107470209) is 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid is Cc1cncc(-c2nc3ccc(C(=O)O)cc3s2)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is MWPIIKSVSBWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-8-4-10(7-15-6-8)13-16-11-3-2-9(14(17)18)5-12(11)19-13/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid?
2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 107470209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).