2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine

C14H14N2S — CID 143408218

IUPAC2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESC1=C\C/C(c2nc3ccncc3s2)=C\CCC/1
InChIInChI=1S/C14H14N2S/c1-2-4-6-11(7-5-3-1)14-16-12-8-9-15-10-13(12)17-14/h2,4,7-10H,1,3,5-6H2/b4-2-,11-7+
InChIKeyWBWIVQQKFLBSAW-NJLXZEHQSA-N
MW242.35 g/mol
LogP4.20
Rot. Bonds1

About 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine

2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 143408218) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID143408218
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESC1=C\C/C(c2nc3ccncc3s2)=C\CCC/1
InChIInChI=1S/C14H14N2S/c1-2-4-6-11(7-5-3-1)14-16-12-8-9-15-10-13(12)17-14/h2,4,7-10H,1,3,5-6H2/b4-2-,11-7+
InChIKeyWBWIVQQKFLBSAW-NJLXZEHQSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
[1,3]thiazolo[5,4-c]pyridin-2-ylmethanol
CID 83383627
2-naphthalen-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 170404333
2-(2-ethoxyphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 155537416
2-(2-methylbutan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339795
2-(2-phenoxy-3-pyridinyl)-[1,3]thiazolo[5,4-c]pyridine
CID 121231473
N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide
CID 87648356
2-(3-fluoro-4-pyridinyl)-1,3-benzothiazole
CID 118450393
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol
CID 123894095
4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]aniline
CID 176651706
4-methoxy-3-(morpholin-4-ylmethyl)-N-[7-([1,3]thiazolo[5,4-c]pyridin-2-yl)cyclohepta-1,6-dien-1-yl]benzamide
CID 143408184

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine (CID 143408218) is 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine is C1=C\C/C(c2nc3ccncc3s2)=C\CCC/1.
What is the InChIKey of 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WBWIVQQKFLBSAW-NJLXZEHQSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-4-6-11(7-5-3-1)14-16-12-8-9-15-10-13(12)17-14/h2,4,7-10H,1,3,5-6H2/b4-2-,11-7+.
What are the key properties of 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine?
2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 242.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 143408218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).