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

C10H12ClN3OS — CID 106957574

IUPAC5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC(C)c2ccsc2)o1
InChIInChI=1S/C10H12ClN3OS/c1-6(11)9-13-14-10(15-9)12-7(2)8-3-4-16-5-8/h3-7H,1-2H3,(H,12,14)
InChIKeyWJHWUTIFNBVCSU-UHFFFAOYSA-N
MW257.75 g/mol
LogP3.60
Rot. Bonds4

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

5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106957574) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106957574
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NC(C)c2ccsc2)o1
InChIInChI=1S/C10H12ClN3OS/c1-6(11)9-13-14-10(15-9)12-7(2)8-3-4-16-5-8/h3-7H,1-2H3,(H,12,14)
InChIKeyWJHWUTIFNBVCSU-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957575
5-(1-chloroethyl)-N-(1-pyridin-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956656
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 63729190
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-tert-butyl-5-(1-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956306
4-chloro-N-(1-thiophen-3-ylethyl)aniline
CID 62091709
5-(1-chloroethyl)-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106959040
5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine
CID 106962724
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-(1-thiophen-3-ylethyl)pyrimidin-5-amine
CID 107588181

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106957574) is 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NC(C)c2ccsc2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WJHWUTIFNBVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-6(11)9-13-14-10(15-9)12-7(2)8-3-4-16-5-8/h3-7H,1-2H3,(H,12,14).
What are the key properties of 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 257.75 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106957574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).