3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid

C12H12N2O2S — CID 103551583

IUPAC3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3cnccc3s2)C1
InChIInChI=1S/C12H12N2O2S/c15-12(16)8-2-1-7(5-8)11-14-9-6-13-4-3-10(9)17-11/h3-4,6-8H,1-2,5H2,(H,15,16)
InChIKeyWVFYMDDMVLJKTF-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.66
Rot. Bonds2

About 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid

3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551583) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551583
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3cnccc3s2)C1
InChIInChI=1S/C12H12N2O2S/c15-12(16)8-2-1-7(5-8)11-14-9-6-13-4-3-10(9)17-11/h3-4,6-8H,1-2,5H2,(H,15,16)
InChIKeyWVFYMDDMVLJKTF-UHFFFAOYSA-N
XLogP2.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551576
3-(6-bromo-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551587
3-(7-chloro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551581
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
methyl 4-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate
CID 102537570
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
8-([1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171704094
cis-(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 51674035
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-methyl-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-3-carboxamide
CID 166605852
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 133059343

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid (CID 103551583) is 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nc3cnccc3s2)C1.
What is the InChIKey of 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is WVFYMDDMVLJKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)8-2-1-7(5-8)11-14-9-6-13-4-3-10(9)17-11/h3-4,6-8H,1-2,5H2,(H,15,16).
What are the key properties of 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid?
3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).