(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine

C6H11N3OS — CID 9170642

IUPAC(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCCSc1nnc(CN)o1
InChIInChI=1S/C6H11N3OS/c1-2-3-11-6-9-8-5(4-7)10-6/h2-4,7H2,1H3
InChIKeyBISIDMOWHUSZIX-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.03
Rot. Bonds4

About (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine

(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 9170642) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID9170642
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCCSc1nnc(CN)o1
InChIInChI=1S/C6H11N3OS/c1-2-3-11-6-9-8-5(4-7)10-6/h2-4,7H2,1H3
InChIKeyBISIDMOWHUSZIX-UHFFFAOYSA-N
XLogP1.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine (CID 9170642) is (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine is CCCSc1nnc(CN)o1.
What is the InChIKey of (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is BISIDMOWHUSZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-3-11-6-9-8-5(4-7)10-6/h2-4,7H2,1H3.
What are the key properties of (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 173.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 9170642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).