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

C28H33N3O5S — CID 53376809

IUPAC(2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24-
InChIKeyDQCAPRRNXQWYLG-VUBXNILYSA-N
MW523.66 g/mol
LogP2.65
Rot. Bonds10

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

(2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 53376809) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID53376809
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC Name(2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24-
InChIKeyDQCAPRRNXQWYLG-VUBXNILYSA-N
XLogP2.65
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 53376809) is (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCN(CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DQCAPRRNXQWYLG-VUBXNILYSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24-.
What are the key properties of (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 523.66 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-[3-(diethylamino)propyl]-2-(2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 53376809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).