2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H26N4OS — CID 168576057

IUPAC2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C=NN=C2NC(=O)CS2)c(C)c(CN2CCCCC2C)c1
InChIInChI=1S/C19H26N4OS/c1-13-8-16(10-20-22-19-21-18(24)12-25-19)15(3)17(9-13)11-23-7-5-4-6-14(23)2/h8-10,14H,4-7,11-12H2,1-3H3,(H,21,22,24)
InChIKeyBIRIWCFBLKBRTD-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.23
Rot. Bonds4

About 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576057) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576057
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C=NN=C2NC(=O)CS2)c(C)c(CN2CCCCC2C)c1
InChIInChI=1S/C19H26N4OS/c1-13-8-16(10-20-22-19-21-18(24)12-25-19)15(3)17(9-13)11-23-7-5-4-6-14(23)2/h8-10,14H,4-7,11-12H2,1-3H3,(H,21,22,24)
InChIKeyBIRIWCFBLKBRTD-UHFFFAOYSA-N
XLogP3.23
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576217
(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135995765
1-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77086778
[4-fluoro-2-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]boronic acid
CID 168574608
2-[[4-(thiomorpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574296
2-[[4-fluoro-2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]guanidine
CID 168590664
2-[(2-chloro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576222
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-[(4-bromo-2,3-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576442
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576057) is 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cc(C=NN=C2NC(=O)CS2)c(C)c(CN2CCCCC2C)c1.
What is the InChIKey of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BIRIWCFBLKBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-8-16(10-20-22-19-21-18(24)12-25-19)15(3)17(9-13)11-23-7-5-4-6-14(23)2/h8-10,14H,4-7,11-12H2,1-3H3,(H,21,22,24).
What are the key properties of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 358.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).