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

C14H11Cl2N5OS — CID 155212102

IUPAC4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)n1
InChIInChI=1S/C14H11Cl2N5OS/c1-7-19-13(17)21-14(20-7)23-6-12-18-5-11(22-12)9-4-8(15)2-3-10(9)16/h2-5H,6H2,1H3,(H2,17,19,20,21)
InChIKeyQJRCEEXZPXGVSD-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.02
Rot. Bonds4

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

4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 155212102) has the molecular formula C14H11Cl2N5OS and a molecular weight of 368.25 g/mol. Its IUPAC name is 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID155212102
Molecular FormulaC14H11Cl2N5OS
Molecular Weight368.25 g/mol
Exact Mass367.01
IUPAC Name4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)n1
InChIInChI=1S/C14H11Cl2N5OS/c1-7-19-13(17)21-14(20-7)23-6-12-18-5-11(22-12)9-4-8(15)2-3-10(9)16/h2-5H,6H2,1H3,(H2,17,19,20,21)
InChIKeyQJRCEEXZPXGVSD-UHFFFAOYSA-N
XLogP4.02
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine (CID 155212102) is 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(SCc2ncc(-c3cc(Cl)ccc3Cl)o2)n1.
What is the InChIKey of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is QJRCEEXZPXGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5OS/c1-7-19-13(17)21-14(20-7)23-6-12-18-5-11(22-12)9-4-8(15)2-3-10(9)16/h2-5H,6H2,1H3,(H2,17,19,20,21).
What are the key properties of 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine?
4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 368.25 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 155212102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).