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

C7H6ClN3OS — CID 62277863

IUPAC[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C7H6ClN3OS/c8-5-2-1-4(13-5)7-11-10-6(3-9)12-7/h1-2H,3,9H2
InChIKeyHMRHXJYJGLADKZ-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.91
Rot. Bonds2

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

[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62277863) has the molecular formula C7H6ClN3OS and a molecular weight of 215.67 g/mol. Its IUPAC name is [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62277863
Molecular FormulaC7H6ClN3OS
Molecular Weight215.67 g/mol
Exact Mass214.99
IUPAC Name[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C7H6ClN3OS/c8-5-2-1-4(13-5)7-11-10-6(3-9)12-7/h1-2H,3,9H2
InChIKeyHMRHXJYJGLADKZ-UHFFFAOYSA-N
XLogP1.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62277863) is [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HMRHXJYJGLADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c8-5-2-1-4(13-5)7-11-10-6(3-9)12-7/h1-2H,3,9H2.
What are the key properties of [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 215.67 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62277863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).