(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine

C11H14N4OS — CID 113355240

IUPAC(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2nnc(C)o2)cn1
InChIInChI=1S/C11H14N4OS/c1-3-9(12)10-5-4-8(6-13-10)17-11-15-14-7(2)16-11/h4-6,9H,3,12H2,1-2H3/t9-/m0/s1
InChIKeyJXBJAHPSJROSOH-VIFPVBQESA-N
MW250.33 g/mol
LogP2.33
Rot. Bonds4

About (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine

(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine (PubChem CID 113355240) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine
PubChem CID113355240
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Sc2nnc(C)o2)cn1
InChIInChI=1S/C11H14N4OS/c1-3-9(12)10-5-4-8(6-13-10)17-11-15-14-7(2)16-11/h4-6,9H,3,12H2,1-2H3/t9-/m0/s1
InChIKeyJXBJAHPSJROSOH-VIFPVBQESA-N
XLogP2.33
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine (CID 113355240) is (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Sc2nnc(C)o2)cn1.
What is the InChIKey of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine?
The InChIKey is JXBJAHPSJROSOH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4OS/c1-3-9(12)10-5-4-8(6-13-10)17-11-15-14-7(2)16-11/h4-6,9H,3,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine?
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine has a molecular weight of 250.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 113355240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).