4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole

C6H7NS2 — CID 145097157

IUPAC4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole
SMILESC=c1nc(SC)sc1=C
InChIInChI=1S/C6H7NS2/c1-4-5(2)9-6(7-4)8-3/h1-2H2,3H3
InChIKeyUXJSUNYRWAJGML-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.69
Rot. Bonds1

About 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole

4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole (PubChem CID 145097157) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole
PubChem CID145097157
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Name4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole
SMILESC=c1nc(SC)sc1=C
InChIInChI=1S/C6H7NS2/c1-4-5(2)9-6(7-4)8-3/h1-2H2,3H3
InChIKeyUXJSUNYRWAJGML-UHFFFAOYSA-N
XLogP0.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole (CID 145097157) is 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole is C=c1nc(SC)sc1=C.
What is the InChIKey of 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole?
The InChIKey is UXJSUNYRWAJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS2/c1-4-5(2)9-6(7-4)8-3/h1-2H2,3H3.
What are the key properties of 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole?
4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole has a molecular weight of 157.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 145097157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).