(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C18H19N3O4S2 — CID 18844746

IUPAC(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3nc(C)cs3)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C18H19N3O4S2/c1-10-9-26-17(19-10)20-18-21(2)16(22)14(27-18)8-11-6-12(23-3)15(25-5)13(7-11)24-4/h6-9H,1-5H3/b14-8-,20-18+
InChIKeyBPRMWVCEVIFWJM-PCIISTMISA-N
MW405.50 g/mol
LogP3.71
Rot. Bonds5

About (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18844746) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID18844746
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N/c3nc(C)cs3)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C18H19N3O4S2/c1-10-9-26-17(19-10)20-18-21(2)16(22)14(27-18)8-11-6-12(23-3)15(25-5)13(7-11)24-4/h6-9H,1-5H3/b14-8-,20-18+
InChIKeyBPRMWVCEVIFWJM-PCIISTMISA-N
XLogP3.71
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2E,5Z)-3-methyl-5-[(2-methylphenyl)methylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18844682
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843736
3-[4-[(E)-[(2E)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43862163
(2E,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842708
(2E,5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845777
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781
(5E)-5-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 9484951
6-[(E)-[(2E)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2,3-dimethoxybenzoic acid
CID 43861806
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18845018
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-[(4-methyl-1,3-thiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18844915
(5E)-5-[(3-methoxy-4-methylphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 8990801
5-[(3-methoxy-4-methylphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1229073

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18844746) is (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3nc(C)cs3)N(C)C2=O)cc(OC)c1OC.
What is the InChIKey of (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BPRMWVCEVIFWJM-PCIISTMISA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-10-9-26-17(19-10)20-18-21(2)16(22)14(27-18)8-11-6-12(23-3)15(25-5)13(7-11)24-4/h6-9H,1-5H3/b14-8-,20-18+.
What are the key properties of (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).