(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

C26H29N3O3S — CID 53376922

IUPAC(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1/C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(32)22(16-18-9-6-7-10-21(18)30)33-26(29)23-19-15-17(3)11-12-20(19)27-24(23)31/h6-7,9-12,15-16,30H,4-5,8,13-14H2,1-3H3,(H,27,31)/b22-16-,26-23+
InChIKeyPGGGDHIVFAZZRO-AVMJVNBVSA-N
MW463.60 g/mol
LogP2.64
Rot. Bonds7

About (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one

(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 53376922) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID53376922
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1/C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(32)22(16-18-9-6-7-10-21(18)30)33-26(29)23-19-15-17(3)11-12-20(19)27-24(23)31/h6-7,9-12,15-16,30H,4-5,8,13-14H2,1-3H3,(H,27,31)/b22-16-,26-23+
InChIKeyPGGGDHIVFAZZRO-AVMJVNBVSA-N
XLogP2.64
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one (CID 53376922) is (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is CCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1/C(=O)Nc2ccc(C)cc21.
What is the InChIKey of (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is PGGGDHIVFAZZRO-AVMJVNBVSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(32)22(16-18-9-6-7-10-21(18)30)33-26(29)23-19-15-17(3)11-12-20(19)27-24(23)31/h6-7,9-12,15-16,30H,4-5,8,13-14H2,1-3H3,(H,27,31)/b22-16-,26-23+.
What are the key properties of (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 463.60 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-[3-(diethylamino)propyl]-5-[(2-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 53376922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).