ethane;2-methyl-4-methylidene-1,3-thiazole

C7H13NS — CID 123577981

IUPACethane;2-methyl-4-methylidene-1,3-thiazole
SMILESC=C1CSC(C)=N1.CC
InChIInChI=1S/C5H7NS.C2H6/c1-4-3-7-5(2)6-4;1-2/h1,3H2,2H3;1-2H3
InChIKeyKGLOYGBBWVISQT-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds

About ethane;2-methyl-4-methylidene-1,3-thiazole

ethane;2-methyl-4-methylidene-1,3-thiazole (PubChem CID 123577981) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is ethane;2-methyl-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-4-methylidene-1,3-thiazole
PubChem CID123577981
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Nameethane;2-methyl-4-methylidene-1,3-thiazole
SMILESC=C1CSC(C)=N1.CC
InChIInChI=1S/C5H7NS.C2H6/c1-4-3-7-5(2)6-4;1-2/h1,3H2,2H3;1-2H3
InChIKeyKGLOYGBBWVISQT-UHFFFAOYSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylsulfanyl-5-methyl-2H-1,4-thiazine
CID 21818220
2-Methyl-4-methylidene-1,3-thiazole
CID 57618313
2-Tert-butyl-5-deuterio-4-methylidene-1,3-thiazole
CID 58417090
2-Tert-butyl-4-methylidene-1,3-thiazole
CID 76779849
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-1,3-thiazole
CID 88886489
(4E)-2-methyl-4-[(2Z)-penta-2,4-dienylidene]-1,3-thiazole
CID 88886499
methyl N-[(Z)-but-2-en-2-yl]ethanimidothioate
CID 88997219
methyl N-prop-1-en-2-ylethanimidothioate
CID 89049845
1-But-2-enyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 90686965
Ethane;4-methylidene-1,3-thiazole
CID 90703586
2,4,5-Trimethyl-1-prop-2-enyl-1,3-thiazol-1-ium
CID 90932149
1-Ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 91233520

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-methylidene-1,3-thiazole?
The IUPAC name of ethane;2-methyl-4-methylidene-1,3-thiazole (CID 123577981) is ethane;2-methyl-4-methylidene-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-4-methylidene-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-4-methylidene-1,3-thiazole is C=C1CSC(C)=N1.CC.
What is the InChIKey of ethane;2-methyl-4-methylidene-1,3-thiazole?
The InChIKey is KGLOYGBBWVISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C2H6/c1-4-3-7-5(2)6-4;1-2/h1,3H2,2H3;1-2H3.
What are the key properties of ethane;2-methyl-4-methylidene-1,3-thiazole?
ethane;2-methyl-4-methylidene-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-methylidene-1,3-thiazole is sourced from PubChem (CID 123577981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).