4,5-bis(ethenylidene)-2-methyl-1,3-thiazole

C8H7NS — CID 89231608

IUPAC4,5-bis(ethenylidene)-2-methyl-1,3-thiazole
SMILESC=C=c1nc(C)sc1=C=C
InChIInChI=1S/C8H7NS/c1-4-7-8(5-2)10-6(3)9-7/h1-2H2,3H3
InChIKeyOZVRYSUNANGNDO-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.58
Rot. Bonds

About 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole

4,5-bis(ethenylidene)-2-methyl-1,3-thiazole (PubChem CID 89231608) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(ethenylidene)-2-methyl-1,3-thiazole
PubChem CID89231608
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name4,5-bis(ethenylidene)-2-methyl-1,3-thiazole
SMILESC=C=c1nc(C)sc1=C=C
InChIInChI=1S/C8H7NS/c1-4-7-8(5-2)10-6(3)9-7/h1-2H2,3H3
InChIKeyOZVRYSUNANGNDO-UHFFFAOYSA-N
XLogP0.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole?
The IUPAC name of 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole (CID 89231608) is 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole?
The canonical SMILES for 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole is C=C=c1nc(C)sc1=C=C.
What is the InChIKey of 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole?
The InChIKey is OZVRYSUNANGNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-4-7-8(5-2)10-6(3)9-7/h1-2H2,3H3.
What are the key properties of 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole?
4,5-bis(ethenylidene)-2-methyl-1,3-thiazole has a molecular weight of 149.22 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenylidene)-2-methyl-1,3-thiazole is sourced from PubChem (CID 89231608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).