5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine

C14H11ClN4OS — CID 43301670

IUPAC5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-1-2-9(6-10)14-18-13(20-19-14)8-21-11-4-5-12(16)17-7-11/h1-7H,8H2,(H2,16,17)
InChIKeyADBWNWSQHFZVTH-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.66
Rot. Bonds4

About 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine

5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine (PubChem CID 43301670) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
PubChem CID43301670
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-1-2-9(6-10)14-18-13(20-19-14)8-21-11-4-5-12(16)17-7-11/h1-7H,8H2,(H2,16,17)
InChIKeyADBWNWSQHFZVTH-UHFFFAOYSA-N
XLogP3.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
CID 24578454
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43302152
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9414835
5-[(5-bromo-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 67070992
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
3-(3-chlorophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 27715048
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
3-(4-chlorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 8512032
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301714
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanylbenzoate
CID 8913504

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine (CID 43301670) is 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2nc(-c3cccc(Cl)c3)no2)cn1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
The InChIKey is ADBWNWSQHFZVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-10-3-1-2-9(6-10)14-18-13(20-19-14)8-21-11-4-5-12(16)17-7-11/h1-7H,8H2,(H2,16,17).
What are the key properties of 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine?
5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine has a molecular weight of 318.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).