(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

C19H20Cl2N2OS — CID 7416385

IUPAC(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCS[C@@H]2c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H20Cl2N2OS/c1-12(2)13-6-8-14(9-7-13)22-19(24)23-10-11-25-18(23)15-4-3-5-16(20)17(15)21/h3-9,12,18H,10-11H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyIFDRPYCTXNSFQJ-GOSISDBHSA-N
MW395.36 g/mol
LogP6.40
Rot. Bonds3

About (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7416385) has the molecular formula C19H20Cl2N2OS and a molecular weight of 395.36 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7416385
Molecular FormulaC19H20Cl2N2OS
Molecular Weight395.36 g/mol
Exact Mass394.07
IUPAC Name(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCS[C@@H]2c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H20Cl2N2OS/c1-12(2)13-6-8-14(9-7-13)22-19(24)23-10-11-25-18(23)15-4-3-5-16(20)17(15)21/h3-9,12,18H,10-11H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyIFDRPYCTXNSFQJ-GOSISDBHSA-N
XLogP6.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.36
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 97496235
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3636809
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 5211610
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (CID 7416385) is (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is CC(C)c1ccc(NC(=O)N2CCS[C@@H]2c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is IFDRPYCTXNSFQJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20Cl2N2OS/c1-12(2)13-6-8-14(9-7-13)22-19(24)23-10-11-25-18(23)15-4-3-5-16(20)17(15)21/h3-9,12,18H,10-11H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7416385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).