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

C18H21N3OS — CID 35527030

IUPAC(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESCN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3OS/c1-20(2)16-10-8-14(9-11-16)17-21(12-13-23-17)18(22)19-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyYMDQRIPNKFERJL-QGZVFWFLSA-N
MW327.45 g/mol
LogP4.03
Rot. Bonds3

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

(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide (PubChem CID 35527030) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide
PubChem CID35527030
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESCN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3OS/c1-20(2)16-10-8-14(9-11-16)17-21(12-13-23-17)18(22)19-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyYMDQRIPNKFERJL-QGZVFWFLSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328956
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide (CID 35527030) is (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide is CN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is YMDQRIPNKFERJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-20(2)16-10-8-14(9-11-16)17-21(12-13-23-17)18(22)19-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide?
(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 35527030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).