(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C30H22N2O3S — CID 10368305

IUPAC(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3cc(OCc4ccccc4)ccc3n2Cc2ccc3ccccc3c2)S1
InChIInChI=1S/C30H22N2O3S/c33-29-28(36-30(34)31-29)17-25-15-24-16-26(35-19-20-6-2-1-3-7-20)12-13-27(24)32(25)18-21-10-11-22-8-4-5-9-23(22)14-21/h1-17H,18-19H2,(H,31,33,34)/b28-17+
InChIKeyISSHANURJKHZRG-OGLMXYFKSA-N
MW490.58 g/mol
LogP6.75
Rot. Bonds6

About (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10368305) has the molecular formula C30H22N2O3S and a molecular weight of 490.58 g/mol. Its IUPAC name is (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10368305
Molecular FormulaC30H22N2O3S
Molecular Weight490.58 g/mol
Exact Mass490.14
IUPAC Name(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3cc(OCc4ccccc4)ccc3n2Cc2ccc3ccccc3c2)S1
InChIInChI=1S/C30H22N2O3S/c33-29-28(36-30(34)31-29)17-25-15-24-16-26(35-19-20-6-2-1-3-7-20)12-13-27(24)32(25)18-21-10-11-22-8-4-5-9-23(22)14-21/h1-17H,18-19H2,(H,31,33,34)/b28-17+
InChIKeyISSHANURJKHZRG-OGLMXYFKSA-N
XLogP6.75
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[[1-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10394100
3-[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoic acid
CID 70032868
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56662949
(5Z)-5-[[6-[(3-aminophenyl)methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 23356927
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351
(5Z)-5-[[1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953788
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3791203
2-[(1-benzyl-5-phenylmethoxyindol-2-yl)methylideneamino]oxyacetic acid
CID 91403560
(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56679983
(5E)-2-(4-fluorophenyl)imino-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137034528
4-[[(5E)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-phenylmethoxyindol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 59100200
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91690869

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10368305) is (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc3cc(OCc4ccccc4)ccc3n2Cc2ccc3ccccc3c2)S1.
What is the InChIKey of (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ISSHANURJKHZRG-OGLMXYFKSA-N. The full InChI is InChI=1S/C30H22N2O3S/c33-29-28(36-30(34)31-29)17-25-15-24-16-26(35-19-20-6-2-1-3-7-20)12-13-27(24)32(25)18-21-10-11-22-8-4-5-9-23(22)14-21/h1-17H,18-19H2,(H,31,33,34)/b28-17+.
What are the key properties of (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 490.58 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10368305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).