2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid

C8H10N2O3S — CID 68643969

IUPAC2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2nc(CO)sc2C1
InChIInChI=1S/C8H10N2O3S/c11-4-7-9-5-1-2-10(8(12)13)3-6(5)14-7/h11H,1-4H2,(H,12,13)
InChIKeyCOCJFDZARKCFPK-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.67
Rot. Bonds1

About 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid

2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid (PubChem CID 68643969) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
PubChem CID68643969
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2nc(CO)sc2C1
InChIInChI=1S/C8H10N2O3S/c11-4-7-9-5-1-2-10(8(12)13)3-6(5)14-7/h11H,1-4H2,(H,12,13)
InChIKeyCOCJFDZARKCFPK-UHFFFAOYSA-N
XLogP0.67
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanol
CID 62921639
2-anilino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 91129185
ethyl 2-(pyridin-4-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68643971
2-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetic acid
CID 82155255
2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098360
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098355
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 135213413
1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
CID 170947205
1-[2-(benzylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 130556955
tert-butyl 2-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 159617839
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid (CID 68643969) is 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2nc(CO)sc2C1.
What is the InChIKey of 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid?
The InChIKey is COCJFDZARKCFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-4-7-9-5-1-2-10(8(12)13)3-6(5)14-7/h11H,1-4H2,(H,12,13).
What are the key properties of 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid?
2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 68643969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).