ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole

C10H15NS — CID 143162594

IUPACethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole
SMILESC=C/C=c1/c(C)nsc1=C.CC
InChIInChI=1S/C8H9NS.C2H6/c1-4-5-8-6(2)9-10-7(8)3;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-5-;
InChIKeyONOQHUKLCGXMEF-HGKIGUAWSA-N
MW181.30 g/mol
LogP1.85
Rot. Bonds1

About ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole

ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole (PubChem CID 143162594) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole.

Molecular Properties

Compound Nameethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole
PubChem CID143162594
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole
SMILESC=C/C=c1/c(C)nsc1=C.CC
InChIInChI=1S/C8H9NS.C2H6/c1-4-5-8-6(2)9-10-7(8)3;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-5-;
InChIKeyONOQHUKLCGXMEF-HGKIGUAWSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-Fluoropropan-2-yl)-6-methylthiazepine
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lithium 3H-2,1-benzothiazol-3-ide
CID 135051208
3-methyl-7H-1,2-benzothiazol-7-ide;yttrium
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CID 91203748
6-butylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 123642712
4-methyl-3H-2,1-benzothiazine
CID 129197539
(4Z,5E)-3-butan-2-yl-4-[(Z)-but-2-enylidene]-5-ethylidene-1,2-thiazole
CID 139436603
(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
CID 139436605
3-Methyl-2,1-benzothiazole 2-oxide
CID 141403172
7-Ethanimidoylcyclohepta-1,3,6-triene-1-thiol
CID 141946931

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole?
The IUPAC name of ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole (CID 143162594) is ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole.
What is the SMILES notation for ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole?
The canonical SMILES for ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole is C=C/C=c1/c(C)nsc1=C.CC.
What is the InChIKey of ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole?
The InChIKey is ONOQHUKLCGXMEF-HGKIGUAWSA-N. The full InChI is InChI=1S/C8H9NS.C2H6/c1-4-5-8-6(2)9-10-7(8)3;1-2/h4-5H,1,3H2,2H3;1-2H3/b8-5-;.
What are the key properties of ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole?
ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole has a molecular weight of 181.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole is sourced from PubChem (CID 143162594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).