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

C7H13N3O2S — CID 102630737

IUPAC[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOC(C)CSc1nnc(CN)o1
InChIInChI=1S/C7H13N3O2S/c1-5(11-2)4-13-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyYQPJGHQWPPDCTK-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.66
Rot. Bonds5

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

[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630737) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630737
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOC(C)CSc1nnc(CN)o1
InChIInChI=1S/C7H13N3O2S/c1-5(11-2)4-13-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyYQPJGHQWPPDCTK-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
propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
[5-(1-methoxypropan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630315
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
2-(2,2-dimethoxyethylsulfanyl)-5-methyl-1,3,4-oxadiazole
CID 66221730
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629829
[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629966
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630041
(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 104889207
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 102630296
methyl 2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 62255417

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630737) is [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is COC(C)CSc1nnc(CN)o1.
What is the InChIKey of [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is YQPJGHQWPPDCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5(11-2)4-13-7-10-9-6(3-8)12-7/h5H,3-4,8H2,1-2H3.
What are the key properties of [5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2-methoxypropylsulfanyl)-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-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).