(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole

C9H13NS — CID 142178506

IUPAC(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole
SMILESC/C=c1/nc(C)s/c1=C/CC
InChIInChI=1S/C9H13NS/c1-4-6-9-8(5-2)10-7(3)11-9/h5-6H,4H2,1-3H3/b8-5+,9-6+
InChIKeyQZVKAFVKQQSKGR-XVYDYJIPSA-N
MW167.28 g/mol
LogP1.44
Rot. Bonds1

About (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole

(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole (PubChem CID 142178506) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole
PubChem CID142178506
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole
SMILESC/C=c1/nc(C)s/c1=C/CC
InChIInChI=1S/C9H13NS/c1-4-6-9-8(5-2)10-7(3)11-9/h5-6H,4H2,1-3H3/b8-5+,9-6+
InChIKeyQZVKAFVKQQSKGR-XVYDYJIPSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-5-ethylidene-4-[(E)-3-fluoro-2-methylprop-2-enylidene]-2-methyl-1,3-thiazole
CID 169883021
2-Methyl-5,6-dihydro-1,3-benzothiazole
CID 20096831
2,7-dimethyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 57951438
2,3-Dimethyl-5,6-dihydro-1,3-benzothiazol-3-ium
CID 59289934
2,5-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 67596976
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
(2E)-2-[(4E)-2-methyl-4-propylidene-1,3-thiazol-5-ylidene]ethanethiol
CID 89029305
2,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 89217474
(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
2-Propan-2-yl-5,6-dihydro-1,3-benzothiazole
CID 121464737
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole?
The IUPAC name of (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole (CID 142178506) is (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole?
The canonical SMILES for (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole is C/C=c1/nc(C)s/c1=C/CC.
What is the InChIKey of (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole?
The InChIKey is QZVKAFVKQQSKGR-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-6-9-8(5-2)10-7(3)11-9/h5-6H,4H2,1-3H3/b8-5+,9-6+.
What are the key properties of (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole?
(4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-2-methyl-5-propylidene-1,3-thiazole is sourced from PubChem (CID 142178506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).