2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one

C20H24ClN7O3S — CID 5102546

IUPAC2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24ClN7O3S/c21-15-3-1-14(2-4-15)17-28(16(29)13-32-17)25-18-22-19(26-5-9-30-10-6-26)24-20(23-18)27-7-11-31-12-8-27/h1-4,17H,5-13H2,(H,22,23,24,25)
InChIKeyRNNMKOXXFQUIAX-UHFFFAOYSA-N
MW477.98 g/mol
LogP1.80
Rot. Bonds5

About 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one (PubChem CID 5102546) has the molecular formula C20H24ClN7O3S and a molecular weight of 477.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
PubChem CID5102546
Molecular FormulaC20H24ClN7O3S
Molecular Weight477.98 g/mol
Exact Mass477.13
IUPAC Name2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24ClN7O3S/c21-15-3-1-14(2-4-15)17-28(16(29)13-32-17)25-18-22-19(26-5-9-30-10-6-26)24-20(23-18)27-7-11-31-12-8-27/h1-4,17H,5-13H2,(H,22,23,24,25)
InChIKeyRNNMKOXXFQUIAX-UHFFFAOYSA-N
XLogP1.80
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.98
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
CID 2844536
(2R)-2-(4-chlorophenyl)-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592538
(2R)-2-(4-chlorophenyl)-5-methyl-3-(3-morpholino-1H-1,2,4-triazol-5-yl)thiazolidin-4-one
CID 71592542
3-[[4,6-Di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
CID 4091653
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
(2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
CID 1039822
(2R)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
CID 1039823
(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
CID 1240458
(2S)-2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
CID 1280900
(2R)-2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
CID 1280901
(2S)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
CID 7032091
N-[(4-chlorophenyl)methyl]-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8838186

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one (CID 5102546) is 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one?
The InChIKey is RNNMKOXXFQUIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O3S/c21-15-3-1-14(2-4-15)17-28(16(29)13-32-17)25-18-22-19(26-5-9-30-10-6-26)24-20(23-18)27-7-11-31-12-8-27/h1-4,17H,5-13H2,(H,22,23,24,25).
What are the key properties of 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one has a molecular weight of 477.98 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5102546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).