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

C13H14Cl2N2O2S — CID 95174306

IUPAC(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2S/c1-16(2)13(19)10-6-20-7-17(10)12(18)8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3/t10-/m0/s1
InChIKeySNSYLQUOKQVNMW-JTQLQIEISA-N
MW333.24 g/mol
LogP2.60
Rot. Bonds2

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

(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95174306) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID95174306
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O2S/c1-16(2)13(19)10-6-20-7-17(10)12(18)8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3/t10-/m0/s1
InChIKeySNSYLQUOKQVNMW-JTQLQIEISA-N
XLogP2.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136518419
(4R)-3-[1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carbonyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 95325679
3-(1-benzothiophene-2-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71879816
3-[3-(furan-3-yl)benzoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 75434211
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95174309
(4R)-N,N-diethyl-3-[2-(methoxymethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 95569010
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 4315196
(4R)-3-(2-chloro-6-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63659636
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 95174306) is (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is SNSYLQUOKQVNMW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S/c1-16(2)13(19)10-6-20-7-17(10)12(18)8-4-3-5-9(14)11(8)15/h3-5,10H,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 333.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95174306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).