(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole

C7H9NS — CID 142811931

IUPAC(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole
SMILESC=c1nc(C)s/c1=C/C
InChIInChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,2H2,1,3H3/b7-4+
InChIKeyRTTPMEFLZLFXFP-QPJJXVBHSA-N
MW139.22 g/mol
LogP0.66
Rot. Bonds

About (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole

(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole (PubChem CID 142811931) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole
PubChem CID142811931
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole
SMILESC=c1nc(C)s/c1=C/C
InChIInChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,2H2,1,3H3/b7-4+
InChIKeyRTTPMEFLZLFXFP-QPJJXVBHSA-N
XLogP0.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(5E)-5-[(Z)-but-2-enylidene]-2-methyl-4-methylidene-1,3-thiazole
CID 89272485
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277021
(4E)-4-[(E)-2-chlorobut-2-enylidene]-2-methyl-5-methylidene-1,3-thiazole
CID 89277027
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
(4E,5E)-5-(iodomethylidene)-2-methyl-4-prop-2-enylidene-1,3-thiazole
CID 117673548
2-Methyl-4,5-dimethylidene-1,3-thiazole
CID 123462275
2-Chloro-4,5-di(ethylidene)-1,3-thiazole
CID 123872211
(4E,5E)-2-methyl-4,5-di(propylidene)-1,3-thiazole
CID 126659416
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-thiazole
CID 129147821
(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1,3-thiazole
CID 129213350

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole?
The IUPAC name of (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole (CID 142811931) is (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole?
The canonical SMILES for (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole is C=c1nc(C)s/c1=C/C.
What is the InChIKey of (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole?
The InChIKey is RTTPMEFLZLFXFP-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H9NS/c1-4-7-5(2)8-6(3)9-7/h4H,2H2,1,3H3/b7-4+.
What are the key properties of (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole?
(5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-2-methyl-4-methylidene-1,3-thiazole is sourced from PubChem (CID 142811931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).