(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one

C22H29N7OS — CID 1240458

IUPAC(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2)N1Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H29N7OS/c30-18-16-31-19(17-10-4-1-5-11-17)29(18)26-20-23-21(27-12-6-2-7-13-27)25-22(24-20)28-14-8-3-9-15-28/h1,4-5,10-11,19H,2-3,6-9,12-16H2,(H,23,24,25,26)/t19-/m1/s1
InChIKeyBMHIHAWGPRMTDW-LJQANCHMSA-N
MW439.59 g/mol
LogP3.45
Rot. Bonds5

About (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one

(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 1240458) has the molecular formula C22H29N7OS and a molecular weight of 439.59 g/mol. Its IUPAC name is (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID1240458
Molecular FormulaC22H29N7OS
Molecular Weight439.59 g/mol
Exact Mass439.22
IUPAC Name(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2)N1Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H29N7OS/c30-18-16-31-19(17-10-4-1-5-11-17)29(18)26-20-23-21(27-12-6-2-7-13-27)25-22(24-20)28-14-8-3-9-15-28/h1,4-5,10-11,19H,2-3,6-9,12-16H2,(H,23,24,25,26)/t19-/m1/s1
InChIKeyBMHIHAWGPRMTDW-LJQANCHMSA-N
XLogP3.45
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
CID 1266325
(2R)-3-[3-(4-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-2-phenyl-thiazolidin-4-one
CID 71592575
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
(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
(2S,5R)-2-(4-chlorophenyl)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-methyl-1,3-thiazolidin-4-one
CID 40852751

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one (CID 1240458) is (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccccc2)N1Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is BMHIHAWGPRMTDW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N7OS/c30-18-16-31-19(17-10-4-1-5-11-17)29(18)26-20-23-21(27-12-6-2-7-13-27)25-22(24-20)28-14-8-3-9-15-28/h1,4-5,10-11,19H,2-3,6-9,12-16H2,(H,23,24,25,26)/t19-/m1/s1.
What are the key properties of (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one?
(2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 439.59 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1240458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).