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

C12H12N2O2S — CID 103979407

IUPAC2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nc2cccnc2s1
InChIInChI=1S/C12H12N2O2S/c15-12(16)8-4-1-3-7(8)10-14-9-5-2-6-13-11(9)17-10/h2,5-8H,1,3-4H2,(H,15,16)
InChIKeyDNEOMMQFWYTFHN-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.66
Rot. Bonds2

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

2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103979407) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103979407
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nc2cccnc2s1
InChIInChI=1S/C12H12N2O2S/c15-12(16)8-4-1-3-7(8)10-14-9-5-2-6-13-11(9)17-10/h2,5-8H,1,3-4H2,(H,15,16)
InChIKeyDNEOMMQFWYTFHN-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

6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-6-yl]hexanoic acid
CID 70692237
2-(2-Pyridin-2-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
CID 8890791
5-Fluoro-2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]cyclohexane-1-carboxylic acid
CID 118008916
2-Pyridyl(benzothiazolyl)acetic acid
CID 129800146
2-(3-Fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 104287037
2,2-Difluoro-2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 166304050
6-([1,3]Thiazolo[5,4-b]pyridin-2-yl)hexanoic acid
CID 18979211
Ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate
CID 18979254
4-([1,3]Thiazolo[5,4-b]pyridin-6-ylmethylamino)cyclohexane-1-carboxylic acid
CID 21873825
3-([1,3]Thiazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 65335368
2-([1,3]Thiazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 69244874
3-[2-([1,3]Thiazolo[5,4-b]pyridin-2-ylsulfanylmethyl)-3-pyridinyl]propanoic acid
CID 69805707

Frequently Asked Questions

What is the IUPAC name of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid (CID 103979407) is 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1nc2cccnc2s1.
What is the InChIKey of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is DNEOMMQFWYTFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)8-4-1-3-7(8)10-14-9-5-2-6-13-11(9)17-10/h2,5-8H,1,3-4H2,(H,15,16).
What are the key properties of 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
2-([1,3]thiazolo[5,4-b]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 2-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).