2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one

C9H15N3OS — CID 141134768

IUPAC2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCN1CCN(C=C2NC(=O)CS2)CC1
InChIInChI=1S/C9H15N3OS/c1-11-2-4-12(5-3-11)6-9-10-8(13)7-14-9/h6H,2-5,7H2,1H3,(H,10,13)
InChIKeyJREGYHPRLAIPLZ-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.10
Rot. Bonds1

About 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one

2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 141134768) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID141134768
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCN1CCN(C=C2NC(=O)CS2)CC1
InChIInChI=1S/C9H15N3OS/c1-11-2-4-12(5-3-11)6-9-10-8(13)7-14-9/h6H,2-5,7H2,1H3,(H,10,13)
InChIKeyJREGYHPRLAIPLZ-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperidin-1-yl-methylene) thiazolidin-4-one
CID 132281425
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
CID 146957017

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one (CID 141134768) is 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one is CN1CCN(C=C2NC(=O)CS2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is JREGYHPRLAIPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-11-2-4-12(5-3-11)6-9-10-8(13)7-14-9/h6H,2-5,7H2,1H3,(H,10,13).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one?
2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 213.31 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 141134768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).