1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C10H13N3OS — CID 106392519

IUPAC1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ncon2)s1
InChIInChI=1S/C10H13N3OS/c1-7-3-4-9(15-7)8(2)11-5-10-12-6-14-13-10/h3-4,6,8,11H,5H2,1-2H3
InChIKeyACFDVHBOGYLDRC-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.29
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106392519) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106392519
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ncon2)s1
InChIInChI=1S/C10H13N3OS/c1-7-3-4-9(15-7)8(2)11-5-10-12-6-14-13-10/h3-4,6,8,11H,5H2,1-2H3
InChIKeyACFDVHBOGYLDRC-UHFFFAOYSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine 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

1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
CID 106393064
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
1-(1,3-benzodioxol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393940
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106392519) is 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2ncon2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is ACFDVHBOGYLDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-3-4-9(15-7)8(2)11-5-10-12-6-14-13-10/h3-4,6,8,11H,5H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 223.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106392519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).