N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide

C19H17Cl3N2O2S — CID 171152501

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CSCN2C(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C19H17Cl3N2O2S/c1-10-5-11(2)17(15(22)6-10)23-18(25)16-8-27-9-24(16)19(26)12-3-4-13(20)14(21)7-12/h3-7,16H,8-9H2,1-2H3,(H,23,25)
InChIKeyMRXMUTXDPPOLKF-UHFFFAOYSA-N
MW443.78 g/mol
LogP5.42
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 171152501) has the molecular formula C19H17Cl3N2O2S and a molecular weight of 443.78 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID171152501
Molecular FormulaC19H17Cl3N2O2S
Molecular Weight443.78 g/mol
Exact Mass442.01
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CSCN2C(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C19H17Cl3N2O2S/c1-10-5-11(2)17(15(22)6-10)23-18(25)16-8-27-9-24(16)19(26)12-3-4-13(20)14(21)7-12/h3-7,16H,8-9H2,1-2H3,(H,23,25)
InChIKeyMRXMUTXDPPOLKF-UHFFFAOYSA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.78
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
N-(4-bromo-2-methylphenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112819222
2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143237
(4S)-N-(cyclopropylmethyl)-3-(3-methyl-4-nitrobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95271806
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95298062
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide (CID 171152501) is N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CSCN2C(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MRXMUTXDPPOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O2S/c1-10-5-11(2)17(15(22)6-10)23-18(25)16-8-27-9-24(16)19(26)12-3-4-13(20)14(21)7-12/h3-7,16H,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 443.78 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 171152501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).