[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane

C16H24FNSSn — CID 167503536

IUPAC[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
SMILESCC(C)=C(/C=C\C(=C(/C)F)c1cnc(C)s1)[Sn](C)(C)C
InChIInChI=1S/C13H15FNS.3CH3.Sn/c1-9(2)6-5-7-12(10(3)14)13-8-15-11(4)16-13;;;;/h5,7-8H,1-4H3;3*1H3;/b7-5-,12-10-;;;;
InChIKeyRGRYUFWRHWJARN-YEXHMWNOSA-N
MW400.15 g/mol
LogP5.92
Rot. Bonds4

About [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane

[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane (PubChem CID 167503536) has the molecular formula C16H24FNSSn and a molecular weight of 400.15 g/mol. Its IUPAC name is [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane.

Molecular Properties

Compound Name[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
PubChem CID167503536
Molecular FormulaC16H24FNSSn
Molecular Weight400.15 g/mol
Exact Mass401.06
IUPAC Name[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
SMILESCC(C)=C(/C=C\C(=C(/C)F)c1cnc(C)s1)[Sn](C)(C)C
InChIInChI=1S/C13H15FNS.3CH3.Sn/c1-9(2)6-5-7-12(10(3)14)13-8-15-11(4)16-13;;;;/h5,7-8H,1-4H3;3*1H3;/b7-5-,12-10-;;;;
InChIKeyRGRYUFWRHWJARN-YEXHMWNOSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.15
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane?
The IUPAC name of [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane (CID 167503536) is [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane.
What is the SMILES notation for [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane?
The canonical SMILES for [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane is CC(C)=C(/C=C\C(=C(/C)F)c1cnc(C)s1)[Sn](C)(C)C.
What is the InChIKey of [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane?
The InChIKey is RGRYUFWRHWJARN-YEXHMWNOSA-N. The full InChI is InChI=1S/C13H15FNS.3CH3.Sn/c1-9(2)6-5-7-12(10(3)14)13-8-15-11(4)16-13;;;;/h5,7-8H,1-4H3;3*1H3;/b7-5-,12-10-;;;;.
What are the key properties of [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane?
[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane has a molecular weight of 400.15 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane is sourced from PubChem (CID 167503536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).