(2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C22H20FN3O3S — CID 57398863

IUPAC(2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-12-14(23)5-8-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11?,22-19-
InChIKeyIGABLYFTJUACKT-TYRNMOHTSA-N
MW425.49 g/mol
LogP1.30
Rot. Bonds4

About (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 57398863) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID57398863
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name(2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-12-14(23)5-8-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11?,22-19-
InChIKeyIGABLYFTJUACKT-TYRNMOHTSA-N
XLogP1.30
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 57398863) is (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is CN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is IGABLYFTJUACKT-TYRNMOHTSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-12-14(23)5-8-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11?,22-19-.
What are the key properties of (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 425.49 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 57398863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).