2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole

C9H15N3OS — CID 66288464

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CSCC2CNC2)o1
InChIInChI=1S/C9H15N3OS/c1-2-8-11-12-9(13-8)6-14-5-7-3-10-4-7/h7,10H,2-6H2,1H3
InChIKeyQYOICPZVLUTJJD-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.08
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole

2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 66288464) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole
PubChem CID66288464
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CSCC2CNC2)o1
InChIInChI=1S/C9H15N3OS/c1-2-8-11-12-9(13-8)6-14-5-7-3-10-4-7/h7,10H,2-6H2,1H3
InChIKeyQYOICPZVLUTJJD-UHFFFAOYSA-N
XLogP1.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4620467
3-[(5-Propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 39240460
2-methyl-N-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]propan-1-amine
CID 62579543
2-(Azetidin-3-ylsulfanyl)-5-methyl-1,3,4-oxadiazole
CID 62786332
N-methyl-2-[5-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 64168842
2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 64231140
N,2-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 64231141
N-ethyl-2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine
CID 64231358
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
CID 66216901
3-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
CID 66218808
3-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
CID 66220061
3-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226747

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole (CID 66288464) is 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CSCC2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is QYOICPZVLUTJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-8-11-12-9(13-8)6-14-5-7-3-10-4-7/h7,10H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole?
2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 66288464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).