ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C23H24FN3O4S2 — CID 76855099

IUPACethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1sc(=Cc2csc(-c3ccc(F)cc3)n2)c(=O)n1CC(=O)N(CC)CC
InChIInChI=1S/C23H24FN3O4S2/c1-4-26(5-2)19(28)13-27-20(12-21(29)31-6-3)33-18(23(27)30)11-17-14-32-22(25-17)15-7-9-16(24)10-8-15/h7-12,14H,4-6,13H2,1-3H3
InChIKeyQHFRZNURHLRIGW-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.21
Rot. Bonds8

About ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 76855099) has the molecular formula C23H24FN3O4S2 and a molecular weight of 489.59 g/mol. Its IUPAC name is ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID76855099
Molecular FormulaC23H24FN3O4S2
Molecular Weight489.59 g/mol
Exact Mass489.12
IUPAC Nameethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1sc(=Cc2csc(-c3ccc(F)cc3)n2)c(=O)n1CC(=O)N(CC)CC
InChIInChI=1S/C23H24FN3O4S2/c1-4-26(5-2)19(28)13-27-20(12-21(29)31-6-3)33-18(23(27)30)11-17-14-32-22(25-17)15-7-9-16(24)10-8-15/h7-12,14H,4-6,13H2,1-3H3
InChIKeyQHFRZNURHLRIGW-UHFFFAOYSA-N
XLogP2.21
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 76855099) is ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)C=c1sc(=Cc2csc(-c3ccc(F)cc3)n2)c(=O)n1CC(=O)N(CC)CC.
What is the InChIKey of ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is QHFRZNURHLRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S2/c1-4-26(5-2)19(28)13-27-20(12-21(29)31-6-3)33-18(23(27)30)11-17-14-32-22(25-17)15-7-9-16(24)10-8-15/h7-12,14H,4-6,13H2,1-3H3.
What are the key properties of ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 489.59 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(diethylamino)-2-oxoethyl]-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 76855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).