(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one

C16H20N6OS — CID 71592575

IUPAC(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCN1CCN(c2n[nH]c(N3C(=O)CS[C@@H]3c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N6OS/c1-20-7-9-21(10-8-20)15-17-16(19-18-15)22-13(23)11-24-14(22)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3,(H,17,18,19)/t14-/m1/s1
InChIKeyVXZVSEPQJDMFFG-CQSZACIVSA-N
MW344.44 g/mol
LogP1.34
Rot. Bonds3

About (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one

(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 71592575) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID71592575
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCN1CCN(c2n[nH]c(N3C(=O)CS[C@@H]3c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N6OS/c1-20-7-9-21(10-8-20)15-17-16(19-18-15)22-13(23)11-24-14(22)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3,(H,17,18,19)/t14-/m1/s1
InChIKeyVXZVSEPQJDMFFG-CQSZACIVSA-N
XLogP1.34
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one (CID 71592575) is (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one is CN1CCN(c2n[nH]c(N3C(=O)CS[C@@H]3c3ccccc3)n2)CC1.
What is the InChIKey of (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is VXZVSEPQJDMFFG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-20-7-9-21(10-8-20)15-17-16(19-18-15)22-13(23)11-24-14(22)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one?
(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 344.44 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).