N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine

C19H24N4OS — CID 67265704

IUPACN-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1sc(-c2nc(-c3ccc(CN)cc3)no2)cc1C
InChIInChI=1S/C19H24N4OS/c1-4-23(5-2)12-17-13(3)10-16(25-17)19-21-18(22-24-19)15-8-6-14(11-20)7-9-15/h6-10H,4-5,11-12,20H2,1-3H3
InChIKeyQHOQABKKZJVZGM-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.07
Rot. Bonds7

About N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine

N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine (PubChem CID 67265704) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine
PubChem CID67265704
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1sc(-c2nc(-c3ccc(CN)cc3)no2)cc1C
InChIInChI=1S/C19H24N4OS/c1-4-23(5-2)12-17-13(3)10-16(25-17)19-21-18(22-24-19)15-8-6-14(11-20)7-9-15/h6-10H,4-5,11-12,20H2,1-3H3
InChIKeyQHOQABKKZJVZGM-UHFFFAOYSA-N
XLogP4.07
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine (CID 67265704) is N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine is CCN(CC)Cc1sc(-c2nc(-c3ccc(CN)cc3)no2)cc1C.
What is the InChIKey of N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine?
The InChIKey is QHOQABKKZJVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-4-23(5-2)12-17-13(3)10-16(25-17)19-21-18(22-24-19)15-8-6-14(11-20)7-9-15/h6-10H,4-5,11-12,20H2,1-3H3.
What are the key properties of N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine?
N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine has a molecular weight of 356.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-methylthiophen-2-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 67265704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).