4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide

C21H32N4O2S — CID 42814776

IUPAC4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1C1SC(C)C(=O)N1CCN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C21H32N4O2S/c1-15(2)22-21(27)24-12-9-23(10-13-24)11-14-25-19(26)17(4)28-20(25)18-8-6-5-7-16(18)3/h5-8,15,17,20H,9-14H2,1-4H3,(H,22,27)
InChIKeyGDKMSODNCHSGBS-UHFFFAOYSA-N
MW404.58 g/mol
LogP2.69
Rot. Bonds5

About 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 42814776) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID42814776
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1C1SC(C)C(=O)N1CCN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C21H32N4O2S/c1-15(2)22-21(27)24-12-9-23(10-13-24)11-14-25-19(26)17(4)28-20(25)18-8-6-5-7-16(18)3/h5-8,15,17,20H,9-14H2,1-4H3,(H,22,27)
InChIKeyGDKMSODNCHSGBS-UHFFFAOYSA-N
XLogP2.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 42814776) is 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide is Cc1ccccc1C1SC(C)C(=O)N1CCN1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is GDKMSODNCHSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-15(2)22-21(27)24-12-9-23(10-13-24)11-14-25-19(26)17(4)28-20(25)18-8-6-5-7-16(18)3/h5-8,15,17,20H,9-14H2,1-4H3,(H,22,27).
What are the key properties of 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 404.58 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-methyl-2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 42814776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).