2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H26N4O2S — CID 168576511

IUPAC2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCOc1ccc(C=NN=C2NC(=O)CS2)cc1CN(CC)CC
InChIInChI=1S/C18H26N4O2S/c1-4-9-24-16-8-7-14(10-15(16)12-22(5-2)6-3)11-19-21-18-20-17(23)13-25-18/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,20,21,23)
InChIKeyMGXGUTGGJKTGMG-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.87
Rot. Bonds9

About 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576511) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576511
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCOc1ccc(C=NN=C2NC(=O)CS2)cc1CN(CC)CC
InChIInChI=1S/C18H26N4O2S/c1-4-9-24-16-8-7-14(10-15(16)12-22(5-2)6-3)11-19-21-18-20-17(23)13-25-18/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,20,21,23)
InChIKeyMGXGUTGGJKTGMG-UHFFFAOYSA-N
XLogP2.87
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-butoxy-3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574300
2-[(3-butoxy-4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574302
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573973
2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[[4-fluoro-3-(3-methylbutoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574334
2-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576641
2-[(4-nonoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574506
2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576004
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576099
2-[(3-butoxy-4,5-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574330

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576511) is 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCOc1ccc(C=NN=C2NC(=O)CS2)cc1CN(CC)CC.
What is the InChIKey of 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MGXGUTGGJKTGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-9-24-16-8-7-14(10-15(16)12-22(5-2)6-3)11-19-21-18-20-17(23)13-25-18/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 362.50 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylaminomethyl)-4-propoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).