4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C17H16Cl2N6O2S — CID 155212041

IUPAC4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H16Cl2N6O2S/c18-10-1-2-12(19)11(7-10)13-8-21-14(27-13)9-28-17-23-15(20)22-16(24-17)25-3-5-26-6-4-25/h1-2,7-8H,3-6,9H2,(H2,20,22,23,24)
InChIKeyIXVPPMUWSSPNAE-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.54
Rot. Bonds5

About 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 155212041) has the molecular formula C17H16Cl2N6O2S and a molecular weight of 439.33 g/mol. Its IUPAC name is 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID155212041
Molecular FormulaC17H16Cl2N6O2S
Molecular Weight439.33 g/mol
Exact Mass438.04
IUPAC Name4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H16Cl2N6O2S/c18-10-1-2-12(19)11(7-10)13-8-21-14(27-13)9-28-17-23-15(20)22-16(24-17)25-3-5-26-6-4-25/h1-2,7-8H,3-6,9H2,(H2,20,22,23,24)
InChIKeyIXVPPMUWSSPNAE-UHFFFAOYSA-N
XLogP3.54
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 155212041) is 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is IXVPPMUWSSPNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O2S/c18-10-1-2-12(19)11(7-10)13-8-21-14(27-13)9-28-17-23-15(20)22-16(24-17)25-3-5-26-6-4-25/h1-2,7-8H,3-6,9H2,(H2,20,22,23,24).
What are the key properties of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 439.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 155212041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).