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

C10H15NS — CID 144598129

IUPACethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
SMILESC=C(C)/C=c1/ncsc1=C.CC
InChIInChI=1S/C8H9NS.C2H6/c1-6(2)4-8-7(3)10-5-9-8;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-4+;
InChIKeyBOGPTMJGUPEOKG-ZFXMFRGYSA-N
MW181.30 g/mol
LogP1.94
Rot. Bonds1

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

ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole (PubChem CID 144598129) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
PubChem CID144598129
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
SMILESC=C(C)/C=c1/ncsc1=C.CC
InChIInChI=1S/C8H9NS.C2H6/c1-6(2)4-8-7(3)10-5-9-8;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-4+;
InChIKeyBOGPTMJGUPEOKG-ZFXMFRGYSA-N
XLogP1.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.94
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 ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole?
The IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole (CID 144598129) is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole?
The canonical SMILES for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole is C=C(C)/C=c1/ncsc1=C.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole?
The InChIKey is BOGPTMJGUPEOKG-ZFXMFRGYSA-N. The full InChI is InChI=1S/C8H9NS.C2H6/c1-6(2)4-8-7(3)10-5-9-8;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-4+;.
What are the key properties of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole?
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole is sourced from PubChem (CID 144598129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).