(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole

C9H11NS — CID 142260644

IUPAC(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
SMILESC/C=C\C=c1\ncs\c1=C\C
InChIInChI=1S/C9H11NS/c1-3-5-6-8-9(4-2)11-7-10-8/h3-7H,1-2H3/b5-3-,8-6+,9-4+
InChIKeyMMIAMPSCFPJJNB-PNMCXMJLSA-N
MW165.26 g/mol
LogP1.30
Rot. Bonds1

About (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole

(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole (PubChem CID 142260644) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
PubChem CID142260644
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
SMILESC/C=C\C=c1\ncs\c1=C\C
InChIInChI=1S/C9H11NS/c1-3-5-6-8-9(4-2)11-7-10-8/h3-7H,1-2H3/b5-3-,8-6+,9-4+
InChIKeyMMIAMPSCFPJJNB-PNMCXMJLSA-N
XLogP1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.30
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 (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole?
The IUPAC name of (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole (CID 142260644) is (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole?
The canonical SMILES for (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole is C/C=C\C=c1\ncs\c1=C\C.
What is the InChIKey of (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole?
The InChIKey is MMIAMPSCFPJJNB-PNMCXMJLSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-5-6-8-9(4-2)11-7-10-8/h3-7H,1-2H3/b5-3-,8-6+,9-4+.
What are the key properties of (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole?
(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole is sourced from PubChem (CID 142260644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).