(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C15H16N4OS — CID 97328803

IUPAC(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H16N4OS/c1-11(12-6-3-4-8-16-12)19(2)10-14-17-18-15(20-14)13-7-5-9-21-13/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyGIRIBXJHGZTZBG-NSHDSACASA-N
MW300.39 g/mol
LogP3.39
Rot. Bonds5

About (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 97328803) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID97328803
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESC[C@@H](c1ccccn1)N(C)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H16N4OS/c1-11(12-6-3-4-8-16-12)19(2)10-14-17-18-15(20-14)13-7-5-9-21-13/h3-9,11H,10H2,1-2H3/t11-/m0/s1
InChIKeyGIRIBXJHGZTZBG-NSHDSACASA-N
XLogP3.39
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]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

N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]naphthalen-2-amine
CID 78789202
(1R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042861
1-(4-ethoxyphenyl)-N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 78789886
(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 62011302
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
CID 66218968
(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9055741
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 97328803) is (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is C[C@@H](c1ccccn1)N(C)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is GIRIBXJHGZTZBG-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11(12-6-3-4-8-16-12)19(2)10-14-17-18-15(20-14)13-7-5-9-21-13/h3-9,11H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 300.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97328803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).