(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide

C12H24N2O2SSi — CID 101498142

IUPAC(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@H](C(=O)NC[Si](C)(C)C)CSC1(C)C
InChIInChI=1S/C12H24N2O2SSi/c1-9(15)14-10(7-17-12(14,2)3)11(16)13-8-18(4,5)6/h10H,7-8H2,1-6H3,(H,13,16)/t10-/m0/s1
InChIKeyUDZALGQDESNUFS-JTQLQIEISA-N
MW288.49 g/mol
LogP1.68
Rot. Bonds3

About (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 101498142) has the molecular formula C12H24N2O2SSi and a molecular weight of 288.49 g/mol. Its IUPAC name is (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID101498142
Molecular FormulaC12H24N2O2SSi
Molecular Weight288.49 g/mol
Exact Mass288.13
IUPAC Name(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1[C@H](C(=O)NC[Si](C)(C)C)CSC1(C)C
InChIInChI=1S/C12H24N2O2SSi/c1-9(15)14-10(7-17-12(14,2)3)11(16)13-8-18(4,5)6/h10H,7-8H2,1-6H3,(H,13,16)/t10-/m0/s1
InChIKeyUDZALGQDESNUFS-JTQLQIEISA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-(2-aminoacetyl)-2,2-dimethyl-N-[2-(4-nitrophenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 101424329
(4R)-3-(3-acetylsulfanylpropanoyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 12890003
2,3-diacetyl-2-methyl-1,3-thiazolidine-4-carboxylic acid;formaldehyde
CID 161175138
4-acetyl-N-[(2-chlorophenyl)methyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919121
7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 48731548
(3R,7aS)-7a-methyl-5-oxo-N-propyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 94330442
7a-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51083374
(4R)-2,2-dimethyl-3-(2-oxooctanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 11507718
N-(2-hydroxypropyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43392746
N-(cyclobutylmethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 71896465
N-(2-bromoprop-2-enyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 115594429
N-[(3-hydroxycyclobutyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 66005554

Frequently Asked Questions

What is the IUPAC name of (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide (CID 101498142) is (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1[C@H](C(=O)NC[Si](C)(C)C)CSC1(C)C.
What is the InChIKey of (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UDZALGQDESNUFS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2SSi/c1-9(15)14-10(7-17-12(14,2)3)11(16)13-8-18(4,5)6/h10H,7-8H2,1-6H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 288.49 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-acetyl-2,2-dimethyl-N-(trimethylsilylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 101498142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).