2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid

C9H12N2O2S — CID 28942134

IUPAC2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid
SMILESCN1CCc2nc(CC(=O)O)sc2C1
InChIInChI=1S/C9H12N2O2S/c1-11-3-2-6-7(5-11)14-8(10-6)4-9(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyNJVXTBVBCDOUKC-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.76
Rot. Bonds2

About 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid

2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid (PubChem CID 28942134) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid
PubChem CID28942134
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid
SMILESCN1CCc2nc(CC(=O)O)sc2C1
InChIInChI=1S/C9H12N2O2S/c1-11-3-2-6-7(5-11)14-8(10-6)4-9(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyNJVXTBVBCDOUKC-UHFFFAOYSA-N
XLogP0.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride
CID 11149031
ethyl 5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 58117032
4,5,6,7-Tetrahydro-5-methylthiazolo(5,4-c)pyridine-2-carboxylic acid
CID 11149032
Ethyl 2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetate;2,2,2-trifluoroacetic acid
CID 70248088
5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 118027097
2-Methoxy-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 122444692
4,5,6,7-Tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 155092592
3-(7,7-Difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 169774341
2,2,2-Trifluoroacetic acid;2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 176101734
Methyl 2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetate;2,2,2-trifluoroacetic acid
CID 176111140
(4R)-2-ethyl-4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 176352133
5-(1-fluoropropan-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 140161596

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid (CID 28942134) is 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid is CN1CCc2nc(CC(=O)O)sc2C1.
What is the InChIKey of 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
The InChIKey is NJVXTBVBCDOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-11-3-2-6-7(5-11)14-8(10-6)4-9(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid has a molecular weight of 212.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid is sourced from PubChem (CID 28942134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).