3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine

C18H14Cl2N6OS — CID 55443370

IUPAC3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCC(Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H14Cl2N6OS/c1-10(17-22-15(25-27-17)11-5-3-2-4-6-11)28-18-24-23-16(26(18)21)13-8-7-12(19)9-14(13)20/h2-10H,21H2,1H3
InChIKeyXTNMCSUGUKIPDW-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.87
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine

3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 55443370) has the molecular formula C18H14Cl2N6OS and a molecular weight of 433.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID55443370
Molecular FormulaC18H14Cl2N6OS
Molecular Weight433.32 g/mol
Exact Mass432.03
IUPAC Name3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
SMILESCC(Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H14Cl2N6OS/c1-10(17-22-15(25-27-17)11-5-3-2-4-6-11)28-18-24-23-16(26(18)21)13-8-7-12(19)9-14(13)20/h2-10H,21H2,1H3
InChIKeyXTNMCSUGUKIPDW-UHFFFAOYSA-N
XLogP4.87
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

5-[1-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 55441862
5-[1-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 134035806
3-phenyl-5-[1-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 51289432
5-[1-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 42947955
3-(2,4-dichlorophenyl)-5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 32738293
3-(2-chlorophenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 84601566
5-[1-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 47023408
3-phenyl-5-[1-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 75852445
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 46618263
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259778
1-(2,4-dichlorophenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 78819544

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine (CID 55443370) is 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine is CC(Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is XTNMCSUGUKIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6OS/c1-10(17-22-15(25-27-17)11-5-3-2-4-6-11)28-18-24-23-16(26(18)21)13-8-7-12(19)9-14(13)20/h2-10H,21H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine?
3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 433.32 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 55443370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).