4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole

C18H19NS — CID 143444862

IUPAC4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole
SMILESC=Cc1nc(-c2ccc(C=C(C)C)c(C)c2)sc1C=C
InChIInChI=1S/C18H19NS/c1-6-16-17(7-2)20-18(19-16)15-9-8-14(10-12(3)4)13(5)11-15/h6-11H,1-2H2,3-5H3
InChIKeyUORPQQSWWXJTSU-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.83
Rot. Bonds4

About 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole

4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole (PubChem CID 143444862) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole
PubChem CID143444862
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole
SMILESC=Cc1nc(-c2ccc(C=C(C)C)c(C)c2)sc1C=C
InChIInChI=1S/C18H19NS/c1-6-16-17(7-2)20-18(19-16)15-9-8-14(10-12(3)4)13(5)11-15/h6-11H,1-2H2,3-5H3
InChIKeyUORPQQSWWXJTSU-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole?
The IUPAC name of 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole (CID 143444862) is 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole is C=Cc1nc(-c2ccc(C=C(C)C)c(C)c2)sc1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole?
The InChIKey is UORPQQSWWXJTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-6-16-17(7-2)20-18(19-16)15-9-8-14(10-12(3)4)13(5)11-15/h6-11H,1-2H2,3-5H3.
What are the key properties of 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole?
4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole has a molecular weight of 281.42 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 143444862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).