5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole

C8H8FNS — CID 168979368

IUPAC5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole
SMILESC=C/C(F)=C\c1scnc1C
InChIInChI=1S/C8H8FNS/c1-3-7(9)4-8-6(2)10-5-11-8/h3-5H,1H2,2H3/b7-4+
InChIKeySCVKGBUQJQNOJE-QPJJXVBHSA-N
MW169.22 g/mol
LogP2.95
Rot. Bonds2

About 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole

5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole (PubChem CID 168979368) has the molecular formula C8H8FNS and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole
PubChem CID168979368
Molecular FormulaC8H8FNS
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole
SMILESC=C/C(F)=C\c1scnc1C
InChIInChI=1S/C8H8FNS/c1-3-7(9)4-8-6(2)10-5-11-8/h3-5H,1H2,2H3/b7-4+
InChIKeySCVKGBUQJQNOJE-QPJJXVBHSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-5-vinylthiazole
CID 15654
5-Ethenyl-3,4-dimethyl-1,3-thiazol-3-ium iodide
CID 68125301
4-Ethenyl-5-methyl-1,3-thiazole
CID 68152330
4-(Difluoromethyl)-5-ethenyl-1,3-thiazole
CID 153975749
5-fluoro-4-[(E)-prop-1-enyl]-1,3-thiazole
CID 155335256
4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
CID 163757497
(E)-4-methyl-5-(2-(triethylsilyl)vinyl)thiazole
CID 154701908
5-[(E)-prop-1-enyl]-4-(trifluoromethyl)-1,3-thiazole
CID 162608361
2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole
CID 171653460
5-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-4-methyl-1,3-thiazole
CID 178086149
4-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
CID 21037569
2,4-Dimethyl-5-(3-methylbut-1-enyl)-1,3-thiazole
CID 53641077

Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole (CID 168979368) is 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole is C=C/C(F)=C\c1scnc1C.
What is the InChIKey of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole?
The InChIKey is SCVKGBUQJQNOJE-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H8FNS/c1-3-7(9)4-8-6(2)10-5-11-8/h3-5H,1H2,2H3/b7-4+.
What are the key properties of 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole?
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole has a molecular weight of 169.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 168979368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).