[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C7H13N3O2S — CID 102630315

IUPAC[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOCC(C)Sc1nnc(CN)o1
InChIInChI=1S/C7H13N3O2S/c1-5(4-11-2)13-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyCWOGEGDQUVIMOS-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.66
Rot. Bonds5

About [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630315) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630315
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOCC(C)Sc1nnc(CN)o1
InChIInChI=1S/C7H13N3O2S/c1-5(4-11-2)13-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyCWOGEGDQUVIMOS-UHFFFAOYSA-N
XLogP0.66
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630737
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylpropanamide
CID 102630165
propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylpropanamide
CID 102630049
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 112603839
1-methoxy-2-methylsulfanylpropane
CID 130750240
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
(2S)-N-(2-methoxyethyl)-2-[[5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9374472
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539

Frequently Asked Questions

What is the IUPAC name of [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630315) is [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is COCC(C)Sc1nnc(CN)o1.
What is the InChIKey of [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is CWOGEGDQUVIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5(4-11-2)13-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3.
What are the key properties of [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 203.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).