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

C20H23N3O2S — CID 55940652

IUPAC(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-14-11-16(22(2)3)9-10-17(14)21-19(24)18-12-26-13-23(18)20(25)15-7-5-4-6-8-15/h4-11,18H,12-13H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyGHQDCOQOXJHBAK-SFHVURJKSA-N
MW369.49 g/mol
LogP3.21
Rot. Bonds4

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

(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55940652) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55940652
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-14-11-16(22(2)3)9-10-17(14)21-19(24)18-12-26-13-23(18)20(25)15-7-5-4-6-8-15/h4-11,18H,12-13H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyGHQDCOQOXJHBAK-SFHVURJKSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide (CID 55940652) is (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GHQDCOQOXJHBAK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-11-16(22(2)3)9-10-17(14)21-19(24)18-12-26-13-23(18)20(25)15-7-5-4-6-8-15/h4-11,18H,12-13H2,1-3H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55940652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).