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

C14H18N2O2S — CID 18979254

IUPACethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate
SMILESCCOC(=O)CCCCCc1nc2cccnc2s1
InChIInChI=1S/C14H18N2O2S/c1-2-18-13(17)9-5-3-4-8-12-16-11-7-6-10-15-14(11)19-12/h6-7,10H,2-5,8-9H2,1H3
InChIKeyHVTKVDXBCUHTFQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.36
Rot. Bonds7

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

ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate (PubChem CID 18979254) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate
PubChem CID18979254
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Nameethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate
SMILESCCOC(=O)CCCCCc1nc2cccnc2s1
InChIInChI=1S/C14H18N2O2S/c1-2-18-13(17)9-5-3-4-8-12-16-11-7-6-10-15-14(11)19-12/h6-7,10H,2-5,8-9H2,1H3
InChIKeyHVTKVDXBCUHTFQ-UHFFFAOYSA-N
XLogP3.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate?
The IUPAC name of ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate (CID 18979254) is ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate.
What is the SMILES notation for ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate?
The canonical SMILES for ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate is CCOC(=O)CCCCCc1nc2cccnc2s1.
What is the InChIKey of ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate?
The InChIKey is HVTKVDXBCUHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-18-13(17)9-5-3-4-8-12-16-11-7-6-10-15-14(11)19-12/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate?
ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate has a molecular weight of 278.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-([1,3]thiazolo[5,4-b]pyridin-2-yl)hexanoate is sourced from PubChem (CID 18979254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).