5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole

C7H7NS2 — CID 126761064

IUPAC5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole
SMILESC=C=c1sc(SC)nc1=C
InChIInChI=1S/C7H7NS2/c1-4-6-5(2)8-7(9-3)10-6/h1-2H2,3H3
InChIKeyMRAPENFWFBXWBQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.84
Rot. Bonds1

About 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole

5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole (PubChem CID 126761064) has the molecular formula C7H7NS2 and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole
PubChem CID126761064
Molecular FormulaC7H7NS2
Molecular Weight169.27 g/mol
Exact Mass169.00
IUPAC Name5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole
SMILESC=C=c1sc(SC)nc1=C
InChIInChI=1S/C7H7NS2/c1-4-6-5(2)8-7(9-3)10-6/h1-2H2,3H3
InChIKeyMRAPENFWFBXWBQ-UHFFFAOYSA-N
XLogP0.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole (CID 126761064) is 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole is C=C=c1sc(SC)nc1=C.
What is the InChIKey of 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole?
The InChIKey is MRAPENFWFBXWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS2/c1-4-6-5(2)8-7(9-3)10-6/h1-2H2,3H3.
What are the key properties of 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole?
5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole has a molecular weight of 169.27 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylidene-4-methylidene-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 126761064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).