(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide

C22H19ClN4O3S — CID 66593480

IUPAC(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1)[C@@H]1CSCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S/c23-15-4-6-17(7-5-15)25-22(30)27-14-31-13-19(27)21(29)24-16-8-10-18(11-9-16)26-12-2-1-3-20(26)28/h1-12,19H,13-14H2,(H,24,29)(H,25,30)/t19-/m0/s1
InChIKeyRPYZHDVFFYLTII-IBGZPJMESA-N
MW454.94 g/mol
LogP4.04
Rot. Bonds4

About (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide

(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 66593480) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID66593480
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1)[C@@H]1CSCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN4O3S/c23-15-4-6-17(7-5-15)25-22(30)27-14-31-13-19(27)21(29)24-16-8-10-18(11-9-16)26-12-2-1-3-20(26)28/h1-12,19H,13-14H2,(H,24,29)(H,25,30)/t19-/m0/s1
InChIKeyRPYZHDVFFYLTII-IBGZPJMESA-N
XLogP4.04
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-5-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-dioxolane-4,5-dicarboxamide
CID 11561249
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593247
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
(3S)-2-N-(4-chlorophenyl)-6-hydroxy-3-N-[4-(2-sulfanylidene-1-pyridinyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
CID 143232690
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-4-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 44582222
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
trans-(1S,2S)-1-N-(4-chlorophenyl)-4-methylidene-2-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1,2-dicarboxamide
CID 11719574

Frequently Asked Questions

What is the IUPAC name of (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide (CID 66593480) is (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide is O=C(Nc1ccc(-n2ccccc2=O)cc1)[C@@H]1CSCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is RPYZHDVFFYLTII-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c23-15-4-6-17(7-5-15)25-22(30)27-14-31-13-19(27)21(29)24-16-8-10-18(11-9-16)26-12-2-1-3-20(26)28/h1-12,19H,13-14H2,(H,24,29)(H,25,30)/t19-/m0/s1.
What are the key properties of (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 454.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 66593480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).