(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide

C19H20Cl2N4OS — CID 1119068

IUPAC(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C19H20Cl2N4OS/c1-12-11-25(18(26)22-14-6-9-16(20)17(21)10-14)19(27-12)23-13-4-7-15(8-5-13)24(2)3/h4-10,12H,11H2,1-3H3,(H,22,26)/b23-19-/t12-/m1/s1
InChIKeyNPFSSFGNXNPELV-JLEISICNSA-N
MW423.37 g/mol
LogP5.72
Rot. Bonds3

About (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide

(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide (PubChem CID 1119068) has the molecular formula C19H20Cl2N4OS and a molecular weight of 423.37 g/mol. Its IUPAC name is (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide
PubChem CID1119068
Molecular FormulaC19H20Cl2N4OS
Molecular Weight423.37 g/mol
Exact Mass422.07
IUPAC Name(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1
InChIInChI=1S/C19H20Cl2N4OS/c1-12-11-25(18(26)22-14-6-9-16(20)17(21)10-14)19(27-12)23-13-4-7-15(8-5-13)24(2)3/h4-10,12H,11H2,1-3H3,(H,22,26)/b23-19-/t12-/m1/s1
InChIKeyNPFSSFGNXNPELV-JLEISICNSA-N
XLogP5.72
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide
CID 3094981
(5R)-2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1116154
(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1116150
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(3-chlorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 12784223
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
2-(4-bromophenyl)imino-N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3498476
2-(3-chloro-4-methylphenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3352123
N-(3,4-dichlorophenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 4139931
2-(1,3-benzodioxol-5-ylimino)-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 5096365

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide (CID 1119068) is (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(N(C)C)cc2)S1.
What is the InChIKey of (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is NPFSSFGNXNPELV-JLEISICNSA-N. The full InChI is InChI=1S/C19H20Cl2N4OS/c1-12-11-25(18(26)22-14-6-9-16(20)17(21)10-14)19(27-12)23-13-4-7-15(8-5-13)24(2)3/h4-10,12H,11H2,1-3H3,(H,22,26)/b23-19-/t12-/m1/s1.
What are the key properties of (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide?
(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1119068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).