5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine

C10H12ClN3OS — CID 106957575

IUPAC5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CCCl)o1)c1ccsc1
InChIInChI=1S/C10H12ClN3OS/c1-7(8-3-5-16-6-8)12-10-14-13-9(15-10)2-4-11/h3,5-7H,2,4H2,1H3,(H,12,14)
InChIKeyJLEBROHCVBFWLM-UHFFFAOYSA-N
MW257.75 g/mol
LogP3.09
Rot. Bonds5

About 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine

5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957575) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957575
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CCCl)o1)c1ccsc1
InChIInChI=1S/C10H12ClN3OS/c1-7(8-3-5-16-6-8)12-10-14-13-9(15-10)2-4-11/h3,5-7H,2,4H2,1H3,(H,12,14)
InChIKeyJLEBROHCVBFWLM-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine 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

5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957574
5-(2-chloroethyl)-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957184
5-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957281
4-ethyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62962097
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
CID 106958401
5-(4-aminobutyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917493
5-(2-chloroethyl)-N-(1-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106957600
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106958406
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106957575) is 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CCCl)o1)c1ccsc1.
What is the InChIKey of 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JLEBROHCVBFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-7(8-3-5-16-6-8)12-10-14-13-9(15-10)2-4-11/h3,5-7H,2,4H2,1H3,(H,12,14).
What are the key properties of 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 257.75 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).