(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole

C12H17NS — CID 142178524

IUPAC(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole
SMILESC/C=C1/SC(C)=NC1C=CC=C(C)C
InChIInChI=1S/C12H17NS/c1-5-12-11(13-10(4)14-12)8-6-7-9(2)3/h5-8,11H,1-4H3/b8-6?,12-5+
InChIKeySHVNGBRYUJSNTH-ADLLAFHZSA-N
MW207.34 g/mol
LogP3.95
Rot. Bonds2

About (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole

(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole (PubChem CID 142178524) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole
PubChem CID142178524
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole
SMILESC/C=C1/SC(C)=NC1C=CC=C(C)C
InChIInChI=1S/C12H17NS/c1-5-12-11(13-10(4)14-12)8-6-7-9(2)3/h5-8,11H,1-4H3/b8-6?,12-5+
InChIKeySHVNGBRYUJSNTH-ADLLAFHZSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole with MolForge

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Related Compounds

2-Methyl-3a,4-dihydro-1,3-benzothiazole
CID 22064067
2,5-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 60099158
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(3aR)-2-methyl-3a,4-dihydro-1,3-benzothiazole
CID 89367458
2,7-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89495237
6-Tert-butyl-2-methyl-3a,7a-dihydro-1,3-benzothiazole
CID 89831944
2,6-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834119
6-Ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834153
2,5,6-Trimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 90084878
2,7a-dimethyl-3aH-1,3-benzothiazole
CID 118312068
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
CID 121327428

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole?
The IUPAC name of (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole (CID 142178524) is (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole.
What is the SMILES notation for (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole?
The canonical SMILES for (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole is C/C=C1/SC(C)=NC1C=CC=C(C)C.
What is the InChIKey of (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole?
The InChIKey is SHVNGBRYUJSNTH-ADLLAFHZSA-N. The full InChI is InChI=1S/C12H17NS/c1-5-12-11(13-10(4)14-12)8-6-7-9(2)3/h5-8,11H,1-4H3/b8-6?,12-5+.
What are the key properties of (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole?
(5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole has a molecular weight of 207.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-2-methyl-4-(4-methylpenta-1,3-dienyl)-4H-1,3-thiazole is sourced from PubChem (CID 142178524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).