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

C16H18ClN5O2S — CID 71592542

IUPAC(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCC1S[C@H](c2ccc(Cl)cc2)N(c2nc(N3CCOCC3)n[nH]2)C1=O
InChIInChI=1S/C16H18ClN5O2S/c1-10-13(23)22(14(25-10)11-2-4-12(17)5-3-11)16-18-15(19-20-16)21-6-8-24-9-7-21/h2-5,10,14H,6-9H2,1H3,(H,18,19,20)/t10?,14-/m1/s1
InChIKeyLLZOLAXCMLAEFI-LNUXAPHWSA-N
MW379.87 g/mol
LogP2.46
Rot. Bonds3

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

(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 71592542) has the molecular formula C16H18ClN5O2S and a molecular weight of 379.87 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-5-methyl-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)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID71592542
Molecular FormulaC16H18ClN5O2S
Molecular Weight379.87 g/mol
Exact Mass379.09
IUPAC Name(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one
SMILESCC1S[C@H](c2ccc(Cl)cc2)N(c2nc(N3CCOCC3)n[nH]2)C1=O
InChIInChI=1S/C16H18ClN5O2S/c1-10-13(23)22(14(25-10)11-2-4-12(17)5-3-11)16-18-15(19-20-16)21-6-8-24-9-7-21/h2-5,10,14H,6-9H2,1H3,(H,18,19,20)/t10?,14-/m1/s1
InChIKeyLLZOLAXCMLAEFI-LNUXAPHWSA-N
XLogP2.46
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.46
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
1-acetyl-N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]piperidine-4-carboxamide
CID 40210026
5-methyl-2-(4-methylphenyl)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazolidin-4-one
CID 76418224
(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)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592538
(2R)-5-methyl-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-(p-tolyl)thiazolidin-4-one
CID 71592581

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-5-methyl-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)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one (CID 71592542) is (2R)-2-(4-chlorophenyl)-5-methyl-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)-5-methyl-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)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is CC1S[C@H](c2ccc(Cl)cc2)N(c2nc(N3CCOCC3)n[nH]2)C1=O.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is LLZOLAXCMLAEFI-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H18ClN5O2S/c1-10-13(23)22(14(25-10)11-2-4-12(17)5-3-11)16-18-15(19-20-16)21-6-8-24-9-7-21/h2-5,10,14H,6-9H2,1H3,(H,18,19,20)/t10?,14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one?
(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 379.87 g/mol, XLogP of 2.46, 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)-5-methyl-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).