(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide

C16H13Cl3N2OS — CID 7226698

IUPAC(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCS[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-11-4-1-3-10(9-11)15-21(7-8-23-15)16(22)20-14-12(18)5-2-6-13(14)19/h1-6,9,15H,7-8H2,(H,20,22)/t15-/m1/s1
InChIKeySOTUDGAPZPTSDV-OAHLLOKOSA-N
MW387.72 g/mol
LogP5.93
Rot. Bonds2

About (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide

(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7226698) has the molecular formula C16H13Cl3N2OS and a molecular weight of 387.72 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7226698
Molecular FormulaC16H13Cl3N2OS
Molecular Weight387.72 g/mol
Exact Mass385.98
IUPAC Name(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCS[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-11-4-1-3-10(9-11)15-21(7-8-23-15)16(22)20-14-12(18)5-2-6-13(14)19/h1-6,9,15H,7-8H2,(H,20,22)/t15-/m1/s1
InChIKeySOTUDGAPZPTSDV-OAHLLOKOSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025688
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
(2S)-N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7362222
N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 46125574
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide (CID 7226698) is (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1c(Cl)cccc1Cl)N1CCS[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is SOTUDGAPZPTSDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13Cl3N2OS/c17-11-4-1-3-10(9-11)15-21(7-8-23-15)16(22)20-14-12(18)5-2-6-13(14)19/h1-6,9,15H,7-8H2,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 387.72 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7226698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).