5-ethenylidene-4-methyl-2H-1,3-thiazole

C6H7NS — CID 71425886

IUPAC5-ethenylidene-4-methyl-2H-1,3-thiazole
SMILESC=C=C1SCN=C1C
InChIInChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h1,4H2,2H3
InChIKeyHIZMWPKSRRXPGT-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.82
Rot. Bonds

About 5-ethenylidene-4-methyl-2H-1,3-thiazole

5-ethenylidene-4-methyl-2H-1,3-thiazole (PubChem CID 71425886) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 5-ethenylidene-4-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name5-ethenylidene-4-methyl-2H-1,3-thiazole
PubChem CID71425886
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name5-ethenylidene-4-methyl-2H-1,3-thiazole
SMILESC=C=C1SCN=C1C
InChIInChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h1,4H2,2H3
InChIKeyHIZMWPKSRRXPGT-UHFFFAOYSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylidene-4-methyl-2H-1,3-thiazole?
The IUPAC name of 5-ethenylidene-4-methyl-2H-1,3-thiazole (CID 71425886) is 5-ethenylidene-4-methyl-2H-1,3-thiazole.
What is the SMILES notation for 5-ethenylidene-4-methyl-2H-1,3-thiazole?
The canonical SMILES for 5-ethenylidene-4-methyl-2H-1,3-thiazole is C=C=C1SCN=C1C.
What is the InChIKey of 5-ethenylidene-4-methyl-2H-1,3-thiazole?
The InChIKey is HIZMWPKSRRXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h1,4H2,2H3.
What are the key properties of 5-ethenylidene-4-methyl-2H-1,3-thiazole?
5-ethenylidene-4-methyl-2H-1,3-thiazole has a molecular weight of 125.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidene-4-methyl-2H-1,3-thiazole is sourced from PubChem (CID 71425886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).