(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole

C8H9NS — CID 145484044

IUPAC(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
SMILESC=C(C)/C=c1/scnc1=C
InChIInChI=1S/C8H9NS/c1-6(2)4-8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-4+
InChIKeyGLOVTSOZNOOJFM-XBXARRHUSA-N
MW151.23 g/mol
LogP0.91
Rot. Bonds1

About (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole

(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole (PubChem CID 145484044) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole.

Molecular Properties

Compound Name(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
PubChem CID145484044
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
SMILESC=C(C)/C=c1/scnc1=C
InChIInChI=1S/C8H9NS/c1-6(2)4-8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-4+
InChIKeyGLOVTSOZNOOJFM-XBXARRHUSA-N
XLogP0.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole
CID 137417364
7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
7-methyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 58775348
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
4-methyl-7H-1,3-benzothiazol-7-ide;vanadium
CID 58775463
4-methyl-6H-1,3-benzothiazol-6-ide;vanadium
CID 58775489
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 89272292
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole?
The IUPAC name of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole (CID 145484044) is (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole.
What is the SMILES notation for (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole?
The canonical SMILES for (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole is C=C(C)/C=c1/scnc1=C.
What is the InChIKey of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole?
The InChIKey is GLOVTSOZNOOJFM-XBXARRHUSA-N. The full InChI is InChI=1S/C8H9NS/c1-6(2)4-8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-4+.
What are the key properties of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole?
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole has a molecular weight of 151.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole is sourced from PubChem (CID 145484044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).