3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C9H10ClN3OS — CID 62277864

IUPAC3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C9H10ClN3OS/c10-7-4-3-6(15-7)9-13-12-8(14-9)2-1-5-11/h3-4H,1-2,5,11H2
InChIKeyUTJXTWJEGIWXID-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.34
Rot. Bonds4

About 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine

3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62277864) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62277864
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C9H10ClN3OS/c10-7-4-3-6(15-7)9-13-12-8(14-9)2-1-5-11/h3-4H,1-2,5,11H2
InChIKeyUTJXTWJEGIWXID-UHFFFAOYSA-N
XLogP2.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-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

3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62278623
2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62275958
3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81262985
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070768
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-amine
CID 66218819
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070769
5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619407
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62960463
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
CID 43249576
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62277864) is 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is NCCCc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is UTJXTWJEGIWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-7-4-3-6(15-7)9-13-12-8(14-9)2-1-5-11/h3-4H,1-2,5,11H2.
What are the key properties of 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 243.72 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62277864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).