(2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one

C15H16ClN5O2S — CID 71592538

IUPAC(2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C15H16ClN5O2S/c16-11-3-1-10(2-4-11)13-21(12(22)9-24-13)15-17-14(18-19-15)20-5-7-23-8-6-20/h1-4,13H,5-9H2,(H,17,18,19)/t13-/m1/s1
InChIKeyJLJFNNGRNYTYFT-CYBMUJFWSA-N
MW365.85 g/mol
LogP2.07
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one

(2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 71592538) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID71592538
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name(2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C15H16ClN5O2S/c16-11-3-1-10(2-4-11)13-21(12(22)9-24-13)15-17-14(18-19-15)20-5-7-23-8-6-20/h1-4,13H,5-9H2,(H,17,18,19)/t13-/m1/s1
InChIKeyJLJFNNGRNYTYFT-CYBMUJFWSA-N
XLogP2.07
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
CID 5102546
(2R)-2-(4-chlorophenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 71592432
(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-thiazolidin-4-one
CID 71592575
(2R)-2-(4-chlorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiazolidin-4-one
CID 56593510
(2R)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-phenyl-thiazolidin-4-one
CID 71592504
(2R)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-phenyl-thiazolidin-4-one
CID 71592535
(2R)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-(p-tolyl)thiazolidin-4-one
CID 71592536
(2R)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)-2-(p-tolyl)thiazolidin-4-one
CID 71592537
(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592542
2-(4-chlorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
CID 76370611
2-(4-Chlorophenyl)-3-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-5-methyl-1,3-thiazolidin-4-one
CID 4200680
4-[3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]morpholine
CID 91340272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (CID 71592538) is (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is JLJFNNGRNYTYFT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c16-11-3-1-10(2-4-11)13-21(12(22)9-24-13)15-17-14(18-19-15)20-5-7-23-8-6-20/h1-4,13H,5-9H2,(H,17,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
(2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 365.85 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).