4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole

C7H11NS — CID 138668061

IUPAC4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole
SMILESC=CC1=C(CC)NSC1
InChIInChI=1S/C7H11NS/c1-3-6-5-9-8-7(6)4-2/h3,8H,1,4-5H2,2H3
InChIKeyCHSQDOUANMMHOM-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.09
Rot. Bonds2

About 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole

4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole (PubChem CID 138668061) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole.

Molecular Properties

Compound Name4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole
PubChem CID138668061
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole
SMILESC=CC1=C(CC)NSC1
InChIInChI=1S/C7H11NS/c1-3-6-5-9-8-7(6)4-2/h3,8H,1,4-5H2,2H3
InChIKeyCHSQDOUANMMHOM-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole?
The IUPAC name of 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole (CID 138668061) is 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole.
What is the SMILES notation for 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole?
The canonical SMILES for 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole is C=CC1=C(CC)NSC1.
What is the InChIKey of 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole?
The InChIKey is CHSQDOUANMMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6-5-9-8-7(6)4-2/h3,8H,1,4-5H2,2H3.
What are the key properties of 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole?
4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole is sourced from PubChem (CID 138668061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).