[2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone

C17H23FN2O2S — CID 3920878

IUPAC[2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone
SMILESCCOCCC/N=C1\SCC(CC)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2S/c1-3-15-12-23-17(19-10-5-11-22-4-2)20(15)16(21)13-6-8-14(18)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3/b19-17-
InChIKeyRQKYDJYJVUAQQP-ZPHPHTNESA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds7

About [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone

[2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 3920878) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID3920878
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name[2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone
SMILESCCOCCC/N=C1\SCC(CC)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2S/c1-3-15-12-23-17(19-10-5-11-22-4-2)20(15)16(21)13-6-8-14(18)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3/b19-17-
InChIKeyRQKYDJYJVUAQQP-ZPHPHTNESA-N
XLogP3.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone (CID 3920878) is [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone is CCOCCC/N=C1\SCC(CC)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is RQKYDJYJVUAQQP-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-3-15-12-23-17(19-10-5-11-22-4-2)20(15)16(21)13-6-8-14(18)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3/b19-17-.
What are the key properties of [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone?
[2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxypropylimino)-4-ethyl-1,3-thiazolidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 3920878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).