(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole

C7H9NS — CID 145123026

IUPAC(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole
SMILESC=CC1N=CS/C1=C/C
InChIInChI=1S/C7H9NS/c1-3-6-7(4-2)9-5-8-6/h3-6H,1H2,2H3/b7-4+
InChIKeyHZXDPHFXMSFOSW-QPJJXVBHSA-N
MW139.22 g/mol
LogP2.22
Rot. Bonds1

About (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole

(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole (PubChem CID 145123026) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole
PubChem CID145123026
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole
SMILESC=CC1N=CS/C1=C/C
InChIInChI=1S/C7H9NS/c1-3-6-7(4-2)9-5-8-6/h3-6H,1H2,2H3/b7-4+
InChIKeyHZXDPHFXMSFOSW-QPJJXVBHSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethylidene-4,4-dimethyl-1,3-thiazole
CID 129744312
3aH-cyclopenta[d][1,3]thiazole
CID 68703559
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
CID 121327428
4-methyl-5-methylidene-4H-1,3-thiazole
CID 123160959
5-pent-2-enylidene-4H-1,3-thiazole
CID 123777847
4-methyl-6-propan-2-yl-4H-1,3-thiazine
CID 129200509
(5Z)-4-methyl-5-[(Z)-pent-3-enylidene]-4H-1,3-thiazole
CID 130413606
4-Ethenyl-4,5-dihydro-1,3-thiazole
CID 141002309
3a,7a-Dihydro-1,3-benzothiazole;ethane
CID 144334057
4,6-dimethyl-4H-1,3-thiazine
CID 155110796
4-ethenyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-4,5-dihydro-1,3-thiazole
CID 156051500
4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 164106303

Frequently Asked Questions

What is the IUPAC name of (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole?
The IUPAC name of (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole (CID 145123026) is (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole.
What is the SMILES notation for (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole?
The canonical SMILES for (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole is C=CC1N=CS/C1=C/C.
What is the InChIKey of (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole?
The InChIKey is HZXDPHFXMSFOSW-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-6-7(4-2)9-5-8-6/h3-6H,1H2,2H3/b7-4+.
What are the key properties of (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole?
(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole is sourced from PubChem (CID 145123026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).