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

C15H15NS — CID 143688553

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESC=C/C=C\c1nc(-c2ccc(C)cc2)sc1C
InChIInChI=1S/C15H15NS/c1-4-5-6-14-12(3)17-15(16-14)13-9-7-11(2)8-10-13/h4-10H,1H2,2-3H3/b6-5-
InChIKeyXKWPNDIOPLGMOJ-WAYWQWQTSA-N
MW241.36 g/mol
LogP4.63
Rot. Bonds3

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

4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 143688553) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole
PubChem CID143688553
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESC=C/C=C\c1nc(-c2ccc(C)cc2)sc1C
InChIInChI=1S/C15H15NS/c1-4-5-6-14-12(3)17-15(16-14)13-9-7-11(2)8-10-13/h4-10H,1H2,2-3H3/b6-5-
InChIKeyXKWPNDIOPLGMOJ-WAYWQWQTSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.63
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-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
CID 126737609
2-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(4-methylphenyl)pyridine
CID 144569411
4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-1,3-thiazole
CID 148716606
4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-amine
CID 15123518
N'-amino-3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-yl]-2-hydroxy-1H-indole-5-carboximidamide
CID 143131572
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-[amino-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-yl]amino]acetonitrile
CID 170009714
2-(4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
CID 89093505
2-[(1Z)-buta-1,3-dienyl]-5-(4-methylphenyl)-1-benzofuran
CID 88568340
5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
CID 143165209
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole (CID 143688553) is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole is C=C/C=C\c1nc(-c2ccc(C)cc2)sc1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is XKWPNDIOPLGMOJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H15NS/c1-4-5-6-14-12(3)17-15(16-14)13-9-7-11(2)8-10-13/h4-10H,1H2,2-3H3/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole?
4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 241.36 g/mol, XLogP of 4.63, 3 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]-5-methyl-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 143688553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).