2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide

C6H8NS- — CID 91444485

IUPAC2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide
SMILESC=C1N=C(C)S[C-]1C
InChIInChI=1S/C6H8NS/c1-4-5(2)8-6(3)7-4/h1H2,2-3H3/q-1
InChIKeyIMKUOEKNKMRRIV-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.22
Rot. Bonds

About 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide

2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide (PubChem CID 91444485) has the molecular formula C6H8NS- and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide.

Molecular Properties

Compound Name2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide
PubChem CID91444485
Molecular FormulaC6H8NS-
Molecular Weight126.20 g/mol
Exact Mass126.04
IUPAC Name2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide
SMILESC=C1N=C(C)S[C-]1C
InChIInChI=1S/C6H8NS/c1-4-5(2)8-6(3)7-4/h1H2,2-3H3/q-1
InChIKeyIMKUOEKNKMRRIV-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,5,5-Trimethyl-4-methylidene-1,3-thiazole
CID 57792314
2-Methyl-4,5-dimethylidene-1,3-thiazole
CID 123462275
Ethane;2-methyl-4-methylidene-1,3-thiazole
CID 123577981
1-Ethyl-2,4-dimethyl-1,3-thiazol-1-ium
CID 172721207
methyl N-but-1-en-2-ylethanimidothioate
CID 143478975

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide?
The IUPAC name of 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide (CID 91444485) is 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide.
What is the SMILES notation for 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide?
The canonical SMILES for 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide is C=C1N=C(C)S[C-]1C.
What is the InChIKey of 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide?
The InChIKey is IMKUOEKNKMRRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NS/c1-4-5(2)8-6(3)7-4/h1H2,2-3H3/q-1.
What are the key properties of 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide?
2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide has a molecular weight of 126.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-methylidene-1,3-thiazol-5-ide is sourced from PubChem (CID 91444485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).