2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole

C8H13NS — CID 57163057

IUPAC2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole
SMILESC=CC1SC=C(C)N1CC
InChIInChI=1S/C8H13NS/c1-4-8-9(5-2)7(3)6-10-8/h4,6,8H,1,5H2,2-3H3
InChIKeyRJFRHPVCHFEKFE-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.43
Rot. Bonds2

About 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole

2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole (PubChem CID 57163057) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole
PubChem CID57163057
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole
SMILESC=CC1SC=C(C)N1CC
InChIInChI=1S/C8H13NS/c1-4-8-9(5-2)7(3)6-10-8/h4,6,8H,1,5H2,2-3H3
InChIKeyRJFRHPVCHFEKFE-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.43
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 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole?
The IUPAC name of 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole (CID 57163057) is 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole.
What is the SMILES notation for 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole?
The canonical SMILES for 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole is C=CC1SC=C(C)N1CC.
What is the InChIKey of 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole?
The InChIKey is RJFRHPVCHFEKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-8-9(5-2)7(3)6-10-8/h4,6,8H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole?
2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-ethyl-4-methyl-2H-1,3-thiazole is sourced from PubChem (CID 57163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).