N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide

C21H31N5O2SSi — CID 154374966

IUPACN,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(=O)N(C)C)s2)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C21H31N5O2SSi/c1-15-14-25(21-22-13-18(29-21)19(27)24(2)3)11-12-26(15)20(28)23-16-7-9-17(10-8-16)30(4,5)6/h7-10,13,15H,11-12,14H2,1-6H3,(H,23,28)/t15-/m1/s1
InChIKeyNFWUHTWOLYEXAD-OAHLLOKOSA-N
MW445.67 g/mol
LogP3.13
Rot. Bonds4

About N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide

N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 154374966) has the molecular formula C21H31N5O2SSi and a molecular weight of 445.67 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID154374966
Molecular FormulaC21H31N5O2SSi
Molecular Weight445.67 g/mol
Exact Mass445.20
IUPAC NameN,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(=O)N(C)C)s2)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C21H31N5O2SSi/c1-15-14-25(21-22-13-18(29-21)19(27)24(2)3)11-12-26(15)20(28)23-16-7-9-17(10-8-16)30(4,5)6/h7-10,13,15H,11-12,14H2,1-6H3,(H,23,28)/t15-/m1/s1
InChIKeyNFWUHTWOLYEXAD-OAHLLOKOSA-N
XLogP3.13
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 46853844
4-(5-fluoropyrimidin-4-yl)-2-methyl-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
CID 91007124
(2R)-2-methyl-4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(4-trimethylsilylphenyl)piperazine-1-carboxamide
CID 68755272
(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-N-(3-trimethylsilylphenyl)piperazine-1-carboxamide
CID 51349069
2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
(2R)-2-methyl-N-(4-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 7495143
(2S)-N-(4-tert-butylphenyl)-4-[3-(dimethylamino)-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 142660233
(2R)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;methane
CID 160959250
N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 22727570
(2R)-4-(5-amino-3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 59912798
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
(2S)-2-methyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444836

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 154374966) is N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide is C[C@@H]1CN(c2ncc(C(=O)N(C)C)s2)CCN1C(=O)Nc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NFWUHTWOLYEXAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H31N5O2SSi/c1-15-14-25(21-22-13-18(29-21)19(27)24(2)3)11-12-26(15)20(28)23-16-7-9-17(10-8-16)30(4,5)6/h7-10,13,15H,11-12,14H2,1-6H3,(H,23,28)/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide?
N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 445.67 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154374966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).