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

C20H25N7O3S — CID 1039822

IUPAC(2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25N7O3S/c28-16-14-31-17(15-4-2-1-3-5-15)27(16)24-18-21-19(25-6-10-29-11-7-25)23-20(22-18)26-8-12-30-13-9-26/h1-5,17H,6-14H2,(H,21,22,23,24)/t17-/m0/s1
InChIKeyJJMMFKMSGDBJDS-KRWDZBQOSA-N
MW443.53 g/mol
LogP1.15
Rot. Bonds5

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

(2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 1039822) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID1039822
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC Name(2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25N7O3S/c28-16-14-31-17(15-4-2-1-3-5-15)27(16)24-18-21-19(25-6-10-29-11-7-25)23-20(22-18)26-8-12-30-13-9-26/h1-5,17H,6-14H2,(H,21,22,23,24)/t17-/m0/s1
InChIKeyJJMMFKMSGDBJDS-KRWDZBQOSA-N
XLogP1.15
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.15
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
2-(4-Chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazolidin-4-one
CID 5102546
(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
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
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one (CID 1039822) is (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2ccccc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is JJMMFKMSGDBJDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N7O3S/c28-16-14-31-17(15-4-2-1-3-5-15)27(16)24-18-21-19(25-6-10-29-11-7-25)23-20(22-18)26-8-12-30-13-9-26/h1-5,17H,6-14H2,(H,21,22,23,24)/t17-/m0/s1.
What are the key properties of (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 443.53 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1039822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).