(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C15H18N2O4S — CID 2379271

IUPAC(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)N1C
InChIInChI=1S/C15H18N2O4S/c1-16-15-17(2)14(18)13(22-15)8-10-11(20-4)6-9(19-3)7-12(10)21-5/h6-8H,1-5H3/b13-8-,16-15+
InChIKeyKWEIPGFHVUEKPW-IAASEGDQSA-N
MW322.39 g/mol
LogP2.24
Rot. Bonds4

About (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 2379271) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID2379271
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)N1C
InChIInChI=1S/C15H18N2O4S/c1-16-15-17(2)14(18)13(22-15)8-10-11(20-4)6-9(19-3)7-12(10)21-5/h6-8H,1-5H3/b13-8-,16-15+
InChIKeyKWEIPGFHVUEKPW-IAASEGDQSA-N
XLogP2.24
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Stk319161
CID 1350142
Cvf-csc-47
CID 47099517
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6023095
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 49843040
(5Z)-5-(2,4-dimethoxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1379738
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 51351619
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804065
5-(4-Methoxy-benzylidene)-2-pyrrolidin-1-yl-thiazol-4-one
CID 702098
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
CID 155565051
(5E)-5-[(2,4-Dimethoxyphenyl)methylidene]-2-(4-methylpiperidin-1-YL)-4,5-dihydro-1,3-thiazol-4-one
CID 1927416
(E)-5-(2-methoxybenzylidene)-2-(pyrrolidin-1-yl)thiazol-4(5H)-one
CID 700832
5-(2,4-diethoxybenzylidene)-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 703959

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 2379271) is (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)N1C.
What is the InChIKey of (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KWEIPGFHVUEKPW-IAASEGDQSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-16-15-17(2)14(18)13(22-15)8-10-11(20-4)6-9(19-3)7-12(10)21-5/h6-8H,1-5H3/b13-8-,16-15+.
What are the key properties of (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 322.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2379271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).