4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide

C34H46N4OSSi — CID 90468143

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)n2)ccc1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-29-13-14-31(21-27(29)7)32-23-40-34(35-32)36-33(39)30-11-9-28(10-12-30)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39)
InChIKeyCDBWZTXMPQGFDK-UHFFFAOYSA-N
MW586.92 g/mol
LogP7.69
Rot. Bonds8

About 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 90468143) has the molecular formula C34H46N4OSSi and a molecular weight of 586.92 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID90468143
Molecular FormulaC34H46N4OSSi
Molecular Weight586.92 g/mol
Exact Mass586.32
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)n2)ccc1C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-29-13-14-31(21-27(29)7)32-23-40-34(35-32)36-33(39)30-11-9-28(10-12-30)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39)
InChIKeyCDBWZTXMPQGFDK-UHFFFAOYSA-N
XLogP7.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.92
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[4-methyl-3-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 90468142
N-[4-[3,4-bis[2-[2-(trifluoromethyl)phenyl]ethynyl]phenyl]-1,3-thiazol-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 90468141
4-(morpholin-4-ylmethyl)-N-[4-[3-[2-[tri(propan-2-yl)-λ4-sulfanyl]ethynyl]phenyl]-1,3-thiazol-2-yl]benzamide
CID 129109039
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-2-yl]amino]phenyl]benzamide
CID 174789263
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59279401
N-[3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 58398594
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 5019698
N-[4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 58398651
4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-[4-[2-tri(propan-2-yl)silylethynyl]hexa-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]benzamide
CID 123558480

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide (CID 90468143) is 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide is Cc1cc(-c2csc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)n2)ccc1C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CDBWZTXMPQGFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4OSSi/c1-24(2)41(25(3)4,26(5)6)20-15-29-13-14-31(21-27(29)7)32-23-40-34(35-32)36-33(39)30-11-9-28(10-12-30)22-38-18-16-37(8)17-19-38/h9-14,21,23-26H,16-19,22H2,1-8H3,(H,35,36,39).
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide?
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 586.92 g/mol, XLogP of 7.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[3-methyl-4-[2-tri(propan-2-yl)silylethynyl]phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 90468143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).