2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

C21H25N5O2S2 — CID 134137352

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(/N=C3\SCC(=O)N3Cc3cccs3)cc2)CC1
InChIInChI=1S/C21H25N5O2S2/c1-24-8-10-25(11-9-24)14-19(27)22-16-4-6-17(7-5-16)23-21-26(20(28)15-30-21)13-18-3-2-12-29-18/h2-7,12H,8-11,13-15H2,1H3,(H,22,27)/b23-21-
InChIKeyUVBCFLZJTHHDLC-LNVKXUELSA-N
MW443.60 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 134137352) has the molecular formula C21H25N5O2S2 and a molecular weight of 443.60 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID134137352
Molecular FormulaC21H25N5O2S2
Molecular Weight443.60 g/mol
Exact Mass443.14
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(/N=C3\SCC(=O)N3Cc3cccs3)cc2)CC1
InChIInChI=1S/C21H25N5O2S2/c1-24-8-10-25(11-9-24)14-19(27)22-16-4-6-17(7-5-16)23-21-26(20(28)15-30-21)13-18-3-2-12-29-18/h2-7,12H,8-11,13-15H2,1H3,(H,22,27)/b23-21-
InChIKeyUVBCFLZJTHHDLC-LNVKXUELSA-N
XLogP2.70
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 134137352) is 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is CN1CCN(CC(=O)Nc2ccc(/N=C3\SCC(=O)N3Cc3cccs3)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is UVBCFLZJTHHDLC-LNVKXUELSA-N. The full InChI is InChI=1S/C21H25N5O2S2/c1-24-8-10-25(11-9-24)14-19(27)22-16-4-6-17(7-5-16)23-21-26(20(28)15-30-21)13-18-3-2-12-29-18/h2-7,12H,8-11,13-15H2,1H3,(H,22,27)/b23-21-.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 443.60 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-[[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 134137352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).