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

C8H8INS — CID 126737609

IUPAC4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
SMILESC=C/C=C\c1nc(I)sc1C
InChIInChI=1S/C8H8INS/c1-3-4-5-7-6(2)11-8(9)10-7/h3-5H,1H2,2H3/b5-4-
InChIKeyMUEXIQNOGJGEBD-PLNGDYQASA-N
MW277.13 g/mol
LogP3.26
Rot. Bonds2

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

4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole (PubChem CID 126737609) has the molecular formula C8H8INS and a molecular weight of 277.13 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
PubChem CID126737609
Molecular FormulaC8H8INS
Molecular Weight277.13 g/mol
Exact Mass276.94
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
SMILESC=C/C=C\c1nc(I)sc1C
InChIInChI=1S/C8H8INS/c1-3-4-5-7-6(2)11-8(9)10-7/h3-5H,1H2,2H3/b5-4-
InChIKeyMUEXIQNOGJGEBD-PLNGDYQASA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.26
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-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-1,3-thiazole
CID 148716606
4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 143688553
2-[amino-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-yl]amino]acetonitrile
CID 170009714
5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
CID 143165209
4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1H-imidazole;ethane
CID 143037368
2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine
CID 144569411
3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]thiophene
CID 135215565
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
CID 170620892
2,5-bis[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)thiophene
CID 131983585
N'-amino-3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-yl]-2-hydroxy-1H-indole-5-carboximidamide
CID 143131572
4-[(1Z)-buta-1,3-dienyl]-5-methylthiophen-2-amine
CID 138552173
5-buta-1,3-dienyl-2,3-dimethylpyridine
CID 134859685

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole (CID 126737609) is 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole is C=C/C=C\c1nc(I)sc1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
The InChIKey is MUEXIQNOGJGEBD-PLNGDYQASA-N. The full InChI is InChI=1S/C8H8INS/c1-3-4-5-7-6(2)11-8(9)10-7/h3-5H,1H2,2H3/b5-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole?
4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole has a molecular weight of 277.13 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole is sourced from PubChem (CID 126737609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).