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

C13H15ClN2O2S — CID 3753855

IUPACN-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCC(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)
InChIKeyABHYROHILFXCKT-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.59
Rot. Bonds3

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

N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 3753855) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID3753855
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC NameN-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SCC(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)
InChIKeyABHYROHILFXCKT-UHFFFAOYSA-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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Related Compounds

(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 682155
N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 19204783
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
3-[(3-chlorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 15468644
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
[2-(3-chloroanilino)-2-oxoethyl] (3R,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 7823259
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (CID 3753855) is N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is CC1(C)SCC(C(=O)Nc2cccc(Cl)c2)N1C=O.
What is the InChIKey of N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ABHYROHILFXCKT-UHFFFAOYSA-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).
What are the key properties of N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
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 N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3753855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).