methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate

C20H28N4O3SSi — CID 46853844

IUPACmethyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCN(C(=O)Nc3ccc([Si](C)(C)C)cc3)[C@H](C)C2)n1
InChIInChI=1S/C20H28N4O3SSi/c1-14-12-23(20-22-17(13-28-20)18(25)27-2)10-11-24(14)19(26)21-15-6-8-16(9-7-15)29(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,21,26)/t14-/m1/s1
InChIKeyOGCMRZLRQPPSQM-CQSZACIVSA-N
MW432.62 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate

methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 46853844) has the molecular formula C20H28N4O3SSi and a molecular weight of 432.62 g/mol. Its IUPAC name is methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID46853844
Molecular FormulaC20H28N4O3SSi
Molecular Weight432.62 g/mol
Exact Mass432.17
IUPAC Namemethyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCN(C(=O)Nc3ccc([Si](C)(C)C)cc3)[C@H](C)C2)n1
InChIInChI=1S/C20H28N4O3SSi/c1-14-12-23(20-22-17(13-28-20)18(25)27-2)10-11-24(14)19(26)21-15-6-8-16(9-7-15)29(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,21,26)/t14-/m1/s1
InChIKeyOGCMRZLRQPPSQM-CQSZACIVSA-N
XLogP3.22
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
CID 68755272
methyl 2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 113307122
N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 154374966
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725
4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
CID 91007124
(2R)-2-methyl-N-(4-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 7495143
methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306904
methyl 4-[3-methyl-4-(1H-pyrazol-4-ylcarbamoyl)piperazin-1-yl]benzoate
CID 51104066
methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423691
N-(4-bromophenyl)-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazine-1-carboxamide
CID 3268069
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
CID 97435699
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate (CID 46853844) is methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2CCN(C(=O)Nc3ccc([Si](C)(C)C)cc3)[C@H](C)C2)n1.
What is the InChIKey of methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is OGCMRZLRQPPSQM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N4O3SSi/c1-14-12-23(20-22-17(13-28-20)18(25)27-2)10-11-24(14)19(26)21-15-6-8-16(9-7-15)29(3,4)5/h6-9,13-14H,10-12H2,1-5H3,(H,21,26)/t14-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 432.62 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).