8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine

C15H15FN2S — CID 144911809

IUPAC8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine
SMILESC=C/C(=C(/F)C(=C)C)c1c(SC)ccn2ccnc12
InChIInChI=1S/C15H15FN2S/c1-5-11(14(16)10(2)3)13-12(19-4)6-8-18-9-7-17-15(13)18/h5-9H,1-2H2,3-4H3/b14-11-
InChIKeyMOOUAMWCKQQPSA-KAMYIIQDSA-N
MW274.36 g/mol
LogP4.50
Rot. Bonds4

About 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine

8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine (PubChem CID 144911809) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine
PubChem CID144911809
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC Name8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine
SMILESC=C/C(=C(/F)C(=C)C)c1c(SC)ccn2ccnc12
InChIInChI=1S/C15H15FN2S/c1-5-11(14(16)10(2)3)13-12(19-4)6-8-18-9-7-17-15(13)18/h5-9H,1-2H2,3-4H3/b14-11-
InChIKeyMOOUAMWCKQQPSA-KAMYIIQDSA-N
XLogP4.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine
CID 144912507
1-imidazo[1,2-a]pyrazin-8-ylethanone
CID 59802586
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 151841576
7-methylsulfanylimidazo[1,2-a]pyridine
CID 126622395
3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene
CID 130047223
1,5-difluoro-2-[(3Z)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-3-yl]-3-methylbenzene
CID 144912091
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol
CID 138015531
8-chloro-7-(5-chloropyrazin-2-yl)sulfanylimidazo[1,2-a]pyridine
CID 165388008
sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate
CID 165387955
2-ethenylpyridine;bis(2-methylbuta-1,3-diene)
CID 19427631
ethane;8-ethenyl-6-methylimidazo[1,2-a]pyridine
CID 144540164

Frequently Asked Questions

What is the IUPAC name of 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine (CID 144911809) is 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine is C=C/C(=C(/F)C(=C)C)c1c(SC)ccn2ccnc12.
What is the InChIKey of 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine?
The InChIKey is MOOUAMWCKQQPSA-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H15FN2S/c1-5-11(14(16)10(2)3)13-12(19-4)6-8-18-9-7-17-15(13)18/h5-9H,1-2H2,3-4H3/b14-11-.
What are the key properties of 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine?
8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine has a molecular weight of 274.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-7-methylsulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 144911809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).