(4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

C13H15ClN2O2S — CID 699366

IUPAC(4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SC[C@H](C(=O)Nc2cccc(Cl)c2)N1C=O
InChIInChI=1S/C13H15ClN2O2S/c1-13(2)16(8-17)11(7-19-13)12(18)15-10-5-3-4-9(14)6-10/h3-6,8,11H,7H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyABHYROHILFXCKT-LLVKDONJSA-N
MW298.80 g/mol
LogP2.59
Rot. Bonds3

About (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

(4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 699366) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID699366
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name(4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SC[C@H](C(=O)Nc2cccc(Cl)c2)N1C=O
InChIInChI=1S/C13H15ClN2O2S/c1-13(2)16(8-17)11(7-19-13)12(18)15-10-5-3-4-9(14)6-10/h3-6,8,11H,7H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyABHYROHILFXCKT-LLVKDONJSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (CID 699366) is (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is CC1(C)SC[C@H](C(=O)Nc2cccc(Cl)c2)N1C=O.
What is the InChIKey of (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ABHYROHILFXCKT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-13(2)16(8-17)11(7-19-13)12(18)15-10-5-3-4-9(14)6-10/h3-6,8,11H,7H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
(4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 298.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 699366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).