4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine

C13H17N7OS — CID 10471202

IUPAC4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine
SMILESc1cn(-c2nc(N3CCOCC3)nc(N3CCSC3)n2)cn1
InChIInChI=1S/C13H17N7OS/c1-2-19(9-14-1)12-15-11(18-3-6-21-7-4-18)16-13(17-12)20-5-8-22-10-20/h1-2,9H,3-8,10H2
InChIKeyMFGRHTOXRFZEMI-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.40
Rot. Bonds3

About 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 10471202) has the molecular formula C13H17N7OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID10471202
Molecular FormulaC13H17N7OS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine
SMILESc1cn(-c2nc(N3CCOCC3)nc(N3CCSC3)n2)cn1
InChIInChI=1S/C13H17N7OS/c1-2-19(9-14-1)12-15-11(18-3-6-21-7-4-18)16-13(17-12)20-5-8-22-10-20/h1-2,9H,3-8,10H2
InChIKeyMFGRHTOXRFZEMI-UHFFFAOYSA-N
XLogP0.40
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine (CID 10471202) is 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine is c1cn(-c2nc(N3CCOCC3)nc(N3CCSC3)n2)cn1.
What is the InChIKey of 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is MFGRHTOXRFZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7OS/c1-2-19(9-14-1)12-15-11(18-3-6-21-7-4-18)16-13(17-12)20-5-8-22-10-20/h1-2,9H,3-8,10H2.
What are the key properties of 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 319.39 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-imidazol-1-yl-6-(1,3-thiazolidin-3-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 10471202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).