N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine

C12H18N4OS — CID 55201082

IUPACN-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(Cc1nc(Cc2nc(C)cs2)no1)NC
InChIInChI=1S/C12H18N4OS/c1-4-9(13-3)5-11-15-10(16-17-11)6-12-14-8(2)7-18-12/h7,9,13H,4-6H2,1-3H3
InChIKeyCHKOTTKQWOGGQW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.97
Rot. Bonds6

About N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine

N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 55201082) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID55201082
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(Cc1nc(Cc2nc(C)cs2)no1)NC
InChIInChI=1S/C12H18N4OS/c1-4-9(13-3)5-11-15-10(16-17-11)6-12-14-8(2)7-18-12/h7,9,13H,4-6H2,1-3H3
InChIKeyCHKOTTKQWOGGQW-UHFFFAOYSA-N
XLogP1.97
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine 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-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 55201082) is N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(Cc1nc(Cc2nc(C)cs2)no1)NC.
What is the InChIKey of N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is CHKOTTKQWOGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-9(13-3)5-11-15-10(16-17-11)6-12-14-8(2)7-18-12/h7,9,13H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 266.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 55201082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).