1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine

C11H13N3OS — CID 62254897

IUPAC1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCc1nnc(Sc2ccc(C(C)N)cc2)o1
InChIInChI=1S/C11H13N3OS/c1-7(12)9-3-5-10(6-4-9)16-11-14-13-8(2)15-11/h3-7H,12H2,1-2H3
InChIKeyJDTFPQLRDBDJNQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.55
Rot. Bonds3

About 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine (PubChem CID 62254897) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
PubChem CID62254897
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCc1nnc(Sc2ccc(C(C)N)cc2)o1
InChIInChI=1S/C11H13N3OS/c1-7(12)9-3-5-10(6-4-9)16-11-14-13-8(2)15-11/h3-7H,12H2,1-2H3
InChIKeyJDTFPQLRDBDJNQ-UHFFFAOYSA-N
XLogP2.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine (CID 62254897) is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine is Cc1nnc(Sc2ccc(C(C)N)cc2)o1.
What is the InChIKey of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
The InChIKey is JDTFPQLRDBDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7(12)9-3-5-10(6-4-9)16-11-14-13-8(2)15-11/h3-7H,12H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine?
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine has a molecular weight of 235.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine is sourced from PubChem (CID 62254897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).