5-ethenyl-4-prop-2-enyl-1,3-thiazole

C8H9NS — CID 70034397

IUPAC5-ethenyl-4-prop-2-enyl-1,3-thiazole
SMILESC=CCc1ncsc1C=C
InChIInChI=1S/C8H9NS/c1-3-5-7-8(4-2)10-6-9-7/h3-4,6H,1-2,5H2
InChIKeyNMGZRGJREKUCIC-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.51
Rot. Bonds3

About 5-ethenyl-4-prop-2-enyl-1,3-thiazole

5-ethenyl-4-prop-2-enyl-1,3-thiazole (PubChem CID 70034397) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5-ethenyl-4-prop-2-enyl-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-4-prop-2-enyl-1,3-thiazole
PubChem CID70034397
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5-ethenyl-4-prop-2-enyl-1,3-thiazole
SMILESC=CCc1ncsc1C=C
InChIInChI=1S/C8H9NS/c1-3-5-7-8(4-2)10-6-9-7/h3-4,6H,1-2,5H2
InChIKeyNMGZRGJREKUCIC-UHFFFAOYSA-N
XLogP2.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-prop-2-enyl-1,3-thiazole?
The IUPAC name of 5-ethenyl-4-prop-2-enyl-1,3-thiazole (CID 70034397) is 5-ethenyl-4-prop-2-enyl-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-4-prop-2-enyl-1,3-thiazole?
The canonical SMILES for 5-ethenyl-4-prop-2-enyl-1,3-thiazole is C=CCc1ncsc1C=C.
What is the InChIKey of 5-ethenyl-4-prop-2-enyl-1,3-thiazole?
The InChIKey is NMGZRGJREKUCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-5-7-8(4-2)10-6-9-7/h3-4,6H,1-2,5H2.
What are the key properties of 5-ethenyl-4-prop-2-enyl-1,3-thiazole?
5-ethenyl-4-prop-2-enyl-1,3-thiazole has a molecular weight of 151.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-prop-2-enyl-1,3-thiazole is sourced from PubChem (CID 70034397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).