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

C8H7FINS — CID 163757497

IUPAC4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
SMILESC=C(F)/C=C\c1nc(I)sc1C
InChIInChI=1S/C8H7FINS/c1-5(9)3-4-7-6(2)12-8(10)11-7/h3-4H,1H2,2H3/b4-3-
InChIKeyLVIKDQDNWGALFZ-ARJAWSKDSA-N
MW295.12 g/mol
LogP3.55
Rot. Bonds2

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

4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole (PubChem CID 163757497) has the molecular formula C8H7FINS and a molecular weight of 295.12 g/mol. Its IUPAC name is 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
PubChem CID163757497
Molecular FormulaC8H7FINS
Molecular Weight295.12 g/mol
Exact Mass294.93
IUPAC Name4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
SMILESC=C(F)/C=C\c1nc(I)sc1C
InChIInChI=1S/C8H7FINS/c1-5(9)3-4-7-6(2)12-8(10)11-7/h3-4H,1H2,2H3/b4-3-
InChIKeyLVIKDQDNWGALFZ-ARJAWSKDSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 142516310
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 145509630
5-Ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole
CID 166156524
4-Ethenyl-5-(1-fluoroethenyl)-2-methyl-1,3-thiazole
CID 167483095
2-(trifluoromethyl)-6H-1,3-benzothiazol-6-ide;yttrium
CID 169241255
2-Methylcycloocta[d][1,3]thiazole
CID 129792379
4-Ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole
CID 130874769
1-[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-3,3,3-trifluoroprop-1-en-2-ol
CID 143128648
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,3-thiazole
CID 168979368
2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole
CID 171653460
5-Ethenyl-4-(1-fluoroethenyl)-2-methyl-1,3-thiazole
CID 178048914
2,4-Dimethyl-5-(3-methylbut-1-enyl)-1,3-thiazole
CID 53641077

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
The IUPAC name of 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole (CID 163757497) is 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
The canonical SMILES for 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole is C=C(F)/C=C\c1nc(I)sc1C.
What is the InChIKey of 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
The InChIKey is LVIKDQDNWGALFZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H7FINS/c1-5(9)3-4-7-6(2)12-8(10)11-7/h3-4H,1H2,2H3/b4-3-.
What are the key properties of 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole has a molecular weight of 295.12 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole is sourced from PubChem (CID 163757497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).