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

C6H7NS — CID 123462275

IUPAC2-methyl-4,5-dimethylidene-1,3-thiazole
SMILESC=c1nc(C)sc1=C
InChIInChI=1S/C6H7NS/c1-4-5(2)8-6(3)7-4/h1-2H2,3H3
InChIKeyCYLDVJSJDCAZLE-UHFFFAOYSA-N
MW125.20 g/mol
LogP0.27
Rot. Bonds

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

2-methyl-4,5-dimethylidene-1,3-thiazole (PubChem CID 123462275) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 2-methyl-4,5-dimethylidene-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4,5-dimethylidene-1,3-thiazole
PubChem CID123462275
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name2-methyl-4,5-dimethylidene-1,3-thiazole
SMILESC=c1nc(C)sc1=C
InChIInChI=1S/C6H7NS/c1-4-5(2)8-6(3)7-4/h1-2H2,3H3
InChIKeyCYLDVJSJDCAZLE-UHFFFAOYSA-N
XLogP0.27
TPSA12.89 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 ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-methylidene-1,3-thiazole
CID 57618313
4,5-Bis(ethenylidene)-2-methyl-1,3-thiazole
CID 89231608
2,5-Dimethyl-4-methylidene-1,3-thiazol-5-ide
CID 91444485
4,5-Dimethylidene-1,3-thiazole-2-carbonitrile
CID 123469250
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazole
CID 132261720
(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole
CID 142811931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dimethylidene-1,3-thiazole?
The IUPAC name of 2-methyl-4,5-dimethylidene-1,3-thiazole (CID 123462275) is 2-methyl-4,5-dimethylidene-1,3-thiazole.
What is the SMILES notation for 2-methyl-4,5-dimethylidene-1,3-thiazole?
The canonical SMILES for 2-methyl-4,5-dimethylidene-1,3-thiazole is C=c1nc(C)sc1=C.
What is the InChIKey of 2-methyl-4,5-dimethylidene-1,3-thiazole?
The InChIKey is CYLDVJSJDCAZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-4-5(2)8-6(3)7-4/h1-2H2,3H3.
What are the key properties of 2-methyl-4,5-dimethylidene-1,3-thiazole?
2-methyl-4,5-dimethylidene-1,3-thiazole has a molecular weight of 125.20 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dimethylidene-1,3-thiazole is sourced from PubChem (CID 123462275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).