6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid

C12H14N2O2S — CID 18979211

IUPAC6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid
SMILESO=C(O)CCCCCc1nc2cccnc2s1
InChIInChI=1S/C12H14N2O2S/c15-11(16)7-3-1-2-6-10-14-9-5-4-8-13-12(9)17-10/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyWBIWETGMRFLSOZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.88
Rot. Bonds6

About 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid

6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid (PubChem CID 18979211) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid
PubChem CID18979211
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid
SMILESO=C(O)CCCCCc1nc2cccnc2s1
InChIInChI=1S/C12H14N2O2S/c15-11(16)7-3-1-2-6-10-14-9-5-4-8-13-12(9)17-10/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyWBIWETGMRFLSOZ-UHFFFAOYSA-N
XLogP2.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid?
The IUPAC name of 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid (CID 18979211) is 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid.
What is the SMILES notation for 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid?
The canonical SMILES for 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid is O=C(O)CCCCCc1nc2cccnc2s1.
What is the InChIKey of 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid?
The InChIKey is WBIWETGMRFLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11(16)7-3-1-2-6-10-14-9-5-4-8-13-12(9)17-10/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid?
6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid has a molecular weight of 250.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoic acid is sourced from PubChem (CID 18979211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).