N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine

C20H23N7O2S — CID 1111827

IUPACN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)cc1
InChIInChI=1S/C20H23N7O2S/c1-2-4-15(5-3-1)16-14-30-20(21-16)24-17-22-18(26-6-10-28-11-7-26)25-19(23-17)27-8-12-29-13-9-27/h1-5,14H,6-13H2,(H,21,22,23,24,25)
InChIKeyXYQLZFGNBLPSGG-UHFFFAOYSA-N
MW425.52 g/mol
LogP2.41
Rot. Bonds5

About N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine

N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 1111827) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID1111827
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC NameN-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)cc1
InChIInChI=1S/C20H23N7O2S/c1-2-4-15(5-3-1)16-14-30-20(21-16)24-17-22-18(26-6-10-28-11-7-26)25-19(23-17)27-8-12-29-13-9-27/h1-5,14H,6-13H2,(H,21,22,23,24,25)
InChIKeyXYQLZFGNBLPSGG-UHFFFAOYSA-N
XLogP2.41
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine (CID 1111827) is N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)cc1.
What is the InChIKey of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is XYQLZFGNBLPSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S/c1-2-4-15(5-3-1)16-14-30-20(21-16)24-17-22-18(26-6-10-28-11-7-26)25-19(23-17)27-8-12-29-13-9-27/h1-5,14H,6-13H2,(H,21,22,23,24,25).
What are the key properties of N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine?
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 425.52 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1111827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).