(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide

C23H33N5O2SSi — CID 68755272

IUPAC(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2nc(C(=O)N3CCCC3)cs2)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C23H33N5O2SSi/c1-17-15-27(23-25-20(16-31-23)21(29)26-11-5-6-12-26)13-14-28(17)22(30)24-18-7-9-19(10-8-18)32(2,3)4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,24,30)/t17-/m1/s1
InChIKeyOPDMSXXLGJMGBM-QGZVFWFLSA-N
MW471.70 g/mol
LogP3.67
Rot. Bonds4

About (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide

(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide (PubChem CID 68755272) has the molecular formula C23H33N5O2SSi and a molecular weight of 471.70 g/mol. Its IUPAC name is (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
PubChem CID68755272
Molecular FormulaC23H33N5O2SSi
Molecular Weight471.70 g/mol
Exact Mass471.21
IUPAC Name(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2nc(C(=O)N3CCCC3)cs2)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C23H33N5O2SSi/c1-17-15-27(23-25-20(16-31-23)21(29)26-11-5-6-12-26)13-14-28(17)22(30)24-18-7-9-19(10-8-18)32(2,3)4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,24,30)/t17-/m1/s1
InChIKeyOPDMSXXLGJMGBM-QGZVFWFLSA-N
XLogP3.67
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.70
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide 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)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide (CID 68755272) is (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide is C[C@@H]1CN(c2nc(C(=O)N3CCCC3)cs2)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
The InChIKey is OPDMSXXLGJMGBM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33N5O2SSi/c1-17-15-27(23-25-20(16-31-23)21(29)26-11-5-6-12-26)13-14-28(17)22(30)24-18-7-9-19(10-8-18)32(2,3)4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,24,30)/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide?
(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide has a molecular weight of 471.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 68755272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).