(5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C22H23N3O4S — CID 135844636

IUPAC(5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=C(C)Nc1ccc(/N=C2\NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1
InChIInChI=1S/C22H23N3O4S/c1-13(2)23-15-6-8-16(9-7-15)24-22-25-21(26)19(30-22)12-14-10-17(27-3)20(29-5)18(11-14)28-4/h6-12,23H,1H2,2-5H3,(H,24,25,26)/b19-12-
InChIKeyFADSDIBFQOSXDP-UNOMPAQXSA-N
MW425.51 g/mol
LogP4.55
Rot. Bonds7

About (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135844636) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135844636
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name(5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC=C(C)Nc1ccc(/N=C2\NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1
InChIInChI=1S/C22H23N3O4S/c1-13(2)23-15-6-8-16(9-7-15)24-22-25-21(26)19(30-22)12-14-10-17(27-3)20(29-5)18(11-14)28-4/h6-12,23H,1H2,2-5H3,(H,24,25,26)/b19-12-
InChIKeyFADSDIBFQOSXDP-UNOMPAQXSA-N
XLogP4.55
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-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

(5E)-2-(4-hydroxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135714933
(5E)-2-phenylimino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135509300
N-[4-[[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 135483195
2-[2-chloro-4-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 137074789
(5E)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135708591
(5Z)-2-(4-fluorophenyl)imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135589210
2-[2-bromo-4-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 137080139
2-(4-bromophenyl)imino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135525046
4-[[(5Z)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135567857
(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137075122
2-[2-chloro-4-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 137080532
(5E)-2-(2-chlorophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135569411

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135844636) is (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C=C(C)Nc1ccc(/N=C2\NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1.
What is the InChIKey of (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is FADSDIBFQOSXDP-UNOMPAQXSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-13(2)23-15-6-8-16(9-7-15)24-22-25-21(26)19(30-22)12-14-10-17(27-3)20(29-5)18(11-14)28-4/h6-12,23H,1H2,2-5H3,(H,24,25,26)/b19-12-.
What are the key properties of (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 425.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[4-(prop-1-en-2-ylamino)phenyl]imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135844636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).