2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine

C17H14N4S — CID 166224831

IUPAC2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCCn1nc(/C=C/c2nc3cnccc3s2)c2ccccc21
InChIInChI=1S/C17H14N4S/c1-2-21-15-6-4-3-5-12(15)13(20-21)7-8-17-19-14-11-18-10-9-16(14)22-17/h3-11H,2H2,1H3/b8-7+
InChIKeyOSZJJKYLGVDOBA-BQYQJAHWSA-N
MW306.39 g/mol
LogP4.23
Rot. Bonds3

About 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine

2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 166224831) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID166224831
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCCn1nc(/C=C/c2nc3cnccc3s2)c2ccccc21
InChIInChI=1S/C17H14N4S/c1-2-21-15-6-4-3-5-12(15)13(20-21)7-8-17-19-14-11-18-10-9-16(14)22-17/h3-11H,2H2,1H3/b8-7+
InChIKeyOSZJJKYLGVDOBA-BQYQJAHWSA-N
XLogP4.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine (CID 166224831) is 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine is CCn1nc(/C=C/c2nc3cnccc3s2)c2ccccc21.
What is the InChIKey of 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is OSZJJKYLGVDOBA-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-21-15-6-4-3-5-12(15)13(20-21)7-8-17-19-14-11-18-10-9-16(14)22-17/h3-11H,2H2,1H3/b8-7+.
What are the key properties of 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine?
2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 306.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-ethylindazol-3-yl)ethenyl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 166224831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).