3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid

C8H6N2O2S — CID 82401346

IUPAC3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nsc2ccnc(C(=O)O)c12
InChIInChI=1S/C8H6N2O2S/c1-4-6-5(13-10-4)2-3-9-7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeySRJZGBGBIHUBET-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.70
Rot. Bonds1

About 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid

3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 82401346) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid
PubChem CID82401346
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nsc2ccnc(C(=O)O)c12
InChIInChI=1S/C8H6N2O2S/c1-4-6-5(13-10-4)2-3-9-7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeySRJZGBGBIHUBET-UHFFFAOYSA-N
XLogP1.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1,2-benzothiazole-3-carboxylic acid
CID 119091223
3-methyl-1,2-benzothiazole-5-carboxylic acid
CID 15054423
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
3-methyl-3-(3-methyl-1,2-benzothiazol-4-yl)butanoic acid
CID 117376822
2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 130047563
5,8-dimethoxyisoquinoline-1-carboxylic acid
CID 82390143
4-methyl-3-(methylamino)pyridine-2-carboxylic acid
CID 169147697
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
4-bromo-3-ethylsulfanylpyridine-2-carboxylic acid
CID 151472066
4-amino-3-cyanopyridine-2-carboxylic acid
CID 118812153
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
3-amino-2-methylpyridine-4-carboxylic acid
CID 14447106

Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid (CID 82401346) is 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid is Cc1nsc2ccnc(C(=O)O)c12.
What is the InChIKey of 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is SRJZGBGBIHUBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-4-6-5(13-10-4)2-3-9-7(6)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid?
3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2]thiazolo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 82401346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).