(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide

C9H16N2O2S — CID 110192497

IUPAC(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SC(C)(C)N(C=O)[C@H]1C(N)=O
InChIInChI=1S/C9H16N2O2S/c1-8(2)6(7(10)13)11(5-12)9(3,4)14-8/h5-6H,1-4H3,(H2,10,13)/t6-/m0/s1
InChIKeyAFKAPVCKLBSNTK-LURJTMIESA-N
MW216.31 g/mol
LogP0.56
Rot. Bonds2

About (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide

(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 110192497) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide
PubChem CID110192497
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SC(C)(C)N(C=O)[C@H]1C(N)=O
InChIInChI=1S/C9H16N2O2S/c1-8(2)6(7(10)13)11(5-12)9(3,4)14-8/h5-6H,1-4H3,(H2,10,13)/t6-/m0/s1
InChIKeyAFKAPVCKLBSNTK-LURJTMIESA-N
XLogP0.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylate
CID 19777315
3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbothioic S-acid
CID 110192146
tert-butyl (2R)-2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-3-methylbutanoate
CID 10292683
(4R)-3-acetyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
CID 130455241
(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide
CID 95987453
2-[(4R)-3-tert-butyl-2,2,5,5-tetramethyl-1,3-thiazolidin-4-yl]acetamide
CID 67885295
N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide
CID 87704667
(5S)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
CID 54167677
(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate
CID 175236720
dioxirane-3-carboxamide
CID 101107076
1-(2-chloroacetyl)-3,3-dimethylpiperidine-2-carboxamide
CID 10728317
(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 717043

Frequently Asked Questions

What is the IUPAC name of (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide (CID 110192497) is (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide is CC1(C)SC(C)(C)N(C=O)[C@H]1C(N)=O.
What is the InChIKey of (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is AFKAPVCKLBSNTK-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-8(2)6(7(10)13)11(5-12)9(3,4)14-8/h5-6H,1-4H3,(H2,10,13)/t6-/m0/s1.
What are the key properties of (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide?
(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110192497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).