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

C8H8ClN3OS — CID 80641183

IUPAC1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2sccc2Cl)o1
InChIInChI=1S/C8H8ClN3OS/c1-10-4-6-11-12-8(13-6)7-5(9)2-3-14-7/h2-3,10H,4H2,1H3
InChIKeyDMPGWQOWCHELBF-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.17
Rot. Bonds3

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

1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 80641183) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID80641183
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2sccc2Cl)o1
InChIInChI=1S/C8H8ClN3OS/c1-10-4-6-11-12-8(13-6)7-5(9)2-3-14-7/h2-3,10H,4H2,1H3
InChIKeyDMPGWQOWCHELBF-UHFFFAOYSA-N
XLogP2.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 80641183) is 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2sccc2Cl)o1.
What is the InChIKey of 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is DMPGWQOWCHELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-10-4-6-11-12-8(13-6)7-5(9)2-3-14-7/h2-3,10H,4H2,1H3.
What are the key properties of 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 229.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80641183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).