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

C7H13N3OS — CID 9170702

IUPAC2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCSc1nnc(CCN)o1
InChIInChI=1S/C7H13N3OS/c1-2-5-12-7-10-9-6(11-7)3-4-8/h2-5,8H2,1H3
InChIKeyRBZVTJUMDGXOCG-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.07
Rot. Bonds5

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

2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 9170702) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID9170702
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCSc1nnc(CCN)o1
InChIInChI=1S/C7H13N3OS/c1-2-5-12-7-10-9-6(11-7)3-4-8/h2-5,8H2,1H3
InChIKeyRBZVTJUMDGXOCG-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
CID 6603366
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28563549
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
(1S)-2-methyl-1-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 9170516
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)butan-1-amine;hydrochloride
CID 163331262
5-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrimidine-2,4-dione;hydrochloride
CID 52994541
5-(2-aminoethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
CID 106967806
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 934007
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
3-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 9170743
N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 102630633

Frequently Asked Questions

What is the IUPAC name of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 9170702) is 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is CCCSc1nnc(CCN)o1.
What is the InChIKey of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is RBZVTJUMDGXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-5-12-7-10-9-6(11-7)3-4-8/h2-5,8H2,1H3.
What are the key properties of 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 187.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 9170702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).