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

C9H13NS — CID 142875396

IUPACethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scnc1=C.CC
InChIInChI=1S/C7H7NS.C2H6/c1-3-4-7-6(2)8-5-9-7;1-2/h3-5H,1-2H2;1-2H3/b7-4+;
InChIKeyDNVAPPUBWBAYLU-KQGICBIGSA-N
MW167.28 g/mol
LogP1.55
Rot. Bonds1

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

ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole (PubChem CID 142875396) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
PubChem CID142875396
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Nameethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scnc1=C.CC
InChIInChI=1S/C7H7NS.C2H6/c1-3-4-7-6(2)8-5-9-7;1-2/h3-5H,1-2H2;1-2H3/b7-4+;
InChIKeyDNVAPPUBWBAYLU-KQGICBIGSA-N
XLogP1.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7H-1,3-benzothiazol-7-ide;vanadium
CID 58775540
(5E)-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
CID 88929695
(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
4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
CID 90764624
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
5-Ethylidene-4-propan-2-ylidene-1,3-thiazole
CID 91081809
N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91101949
N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91295431
(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
CID 118667083
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
The IUPAC name of ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole (CID 142875396) is ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole.
What is the SMILES notation for ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
The canonical SMILES for ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole is C=C/C=c1/scnc1=C.CC.
What is the InChIKey of ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
The InChIKey is DNVAPPUBWBAYLU-KQGICBIGSA-N. The full InChI is InChI=1S/C7H7NS.C2H6/c1-3-4-7-6(2)8-5-9-7;1-2/h3-5H,1-2H2;1-2H3/b7-4+;.
What are the key properties of ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 142875396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).