2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol

C7H10N2OS — CID 170202003

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
SMILESSCCc1nc(C2CC2)no1
InChIInChI=1S/C7H10N2OS/c11-4-3-6-8-7(9-10-6)5-1-2-5/h5,11H,1-4H2
InChIKeyCSJPSOFEEXGWQE-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.42
Rot. Bonds3

About 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol (PubChem CID 170202003) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
PubChem CID170202003
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
SMILESSCCc1nc(C2CC2)no1
InChIInChI=1S/C7H10N2OS/c11-4-3-6-8-7(9-10-6)5-1-2-5/h5,11H,1-4H2
InChIKeyCSJPSOFEEXGWQE-UHFFFAOYSA-N
XLogP1.42
TPSA38.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
CID 86261805
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol (CID 170202003) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol is SCCc1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol?
The InChIKey is CSJPSOFEEXGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c11-4-3-6-8-7(9-10-6)5-1-2-5/h5,11H,1-4H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol has a molecular weight of 170.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol is sourced from PubChem (CID 170202003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).