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

C10H11NS — CID 143246959

IUPAC(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scn/c1=C/C=C\C
InChIInChI=1S/C10H11NS/c1-3-5-7-9-10(6-4-2)12-8-11-9/h3-8H,2H2,1H3/b5-3-,9-7+,10-6+
InChIKeyCJLBRZMTCYHVCO-PBICUVHJSA-N
MW177.27 g/mol
LogP1.47
Rot. Bonds2

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

(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole (PubChem CID 143246959) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole
PubChem CID143246959
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scn/c1=C/C=C\C
InChIInChI=1S/C10H11NS/c1-3-5-7-9-10(6-4-2)12-8-11-9/h3-8H,2H2,1H3/b5-3-,9-7+,10-6+
InChIKeyCJLBRZMTCYHVCO-PBICUVHJSA-N
XLogP1.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.47
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-prop-2-enylidene-1,3-thiazole?
The IUPAC name of (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole (CID 143246959) is (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole?
The canonical SMILES for (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole is C=C/C=c1/scn/c1=C/C=C\C.
What is the InChIKey of (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole?
The InChIKey is CJLBRZMTCYHVCO-PBICUVHJSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-5-7-9-10(6-4-2)12-8-11-9/h3-8H,2H2,1H3/b5-3-,9-7+,10-6+.
What are the key properties of (4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole?
(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole has a molecular weight of 177.27 g/mol, XLogP of 1.47, 2 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-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 143246959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).