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

C14H11ClN4OS — CID 66140184

IUPAC5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(CSc3ccccc3Cl)no2)cn1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-1-2-4-11(10)21-8-13-18-14(20-19-13)9-5-6-12(16)17-7-9/h1-7H,8H2,(H2,16,17)
InChIKeyGNWPBLIEHHBSPG-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.66
Rot. Bonds4

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

5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 66140184) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID66140184
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(CSc3ccccc3Cl)no2)cn1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-1-2-4-11(10)21-8-13-18-14(20-19-13)9-5-6-12(16)17-7-9/h1-7H,8H2,(H2,16,17)
InChIKeyGNWPBLIEHHBSPG-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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 66140184) is 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(CSc3ccccc3Cl)no2)cn1.
What is the InChIKey of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is GNWPBLIEHHBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-10-3-1-2-4-11(10)21-8-13-18-14(20-19-13)9-5-6-12(16)17-7-9/h1-7H,8H2,(H2,16,17).
What are the key properties of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]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-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 66140184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).