(5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C23H21NO4S2 — CID 6221699

IUPAC(5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)/C(=C/C3=Cc4cccc(OC)c4OC3C)SC2=S)cc1
InChIInChI=1S/C23H21NO4S2/c1-14-17(11-16-5-4-6-19(27-3)21(16)28-14)12-20-22(25)24(23(29)30-20)13-15-7-9-18(26-2)10-8-15/h4-12,14H,13H2,1-3H3/b20-12-
InChIKeyTWPBCXVHAUMWPN-NDENLUEZSA-N
MW439.56 g/mol
LogP4.81
Rot. Bonds5

About (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6221699) has the molecular formula C23H21NO4S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6221699
Molecular FormulaC23H21NO4S2
Molecular Weight439.56 g/mol
Exact Mass439.09
IUPAC Name(5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)/C(=C/C3=Cc4cccc(OC)c4OC3C)SC2=S)cc1
InChIInChI=1S/C23H21NO4S2/c1-14-17(11-16-5-4-6-19(27-3)21(16)28-14)12-20-22(25)24(23(29)30-20)13-15-7-9-18(26-2)10-8-15/h4-12,14H,13H2,1-3H3/b20-12-
InChIKeyTWPBCXVHAUMWPN-NDENLUEZSA-N
XLogP4.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one 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

3-ethyl-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4861900
(5Z)-3-(furan-2-ylmethyl)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6220609
(5Z)-5-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2130050
5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1329879
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27303675
3-(2-methoxyethyl)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5153921
(5Z)-3-[(2-chlorophenyl)methyl]-5-[(2-methyl-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6002796
(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1333942
5-[(2-fluorophenyl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1331931
2-(4-benzylpiperazin-1-yl)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-1,3-thiazol-4-one
CID 4868098
(5E)-3-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2178293
(5Z)-3-ethyl-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23428382

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6221699) is (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)/C(=C/C3=Cc4cccc(OC)c4OC3C)SC2=S)cc1.
What is the InChIKey of (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is TWPBCXVHAUMWPN-NDENLUEZSA-N. The full InChI is InChI=1S/C23H21NO4S2/c1-14-17(11-16-5-4-6-19(27-3)21(16)28-14)12-20-22(25)24(23(29)30-20)13-15-7-9-18(26-2)10-8-15/h4-12,14H,13H2,1-3H3/b20-12-.
What are the key properties of (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 439.56 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(8-methoxy-2-methyl-2H-chromen-3-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).