N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine

C13H17N3OS — CID 112519497

IUPACN-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(COc2cccc(C)c2)s1
InChIInChI=1S/C13H17N3OS/c1-10-4-3-5-11(8-10)17-9-13-16-15-12(18-13)6-7-14-2/h3-5,8,14H,6-7,9H2,1-2H3
InChIKeyWGQRINCDSIBWEC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine

N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 112519497) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID112519497
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(COc2cccc(C)c2)s1
InChIInChI=1S/C13H17N3OS/c1-10-4-3-5-11(8-10)17-9-13-16-15-12(18-13)6-7-14-2/h3-5,8,14H,6-7,9H2,1-2H3
InChIKeyWGQRINCDSIBWEC-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]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

methyl N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 2201221
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
CID 63383570
N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 858231
4-methoxy-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 10570178
4-methyl-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 858227
3-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3152064
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
2-chloro-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1429740
(E)-1-(furan-2-yl)-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]methanimine
CID 139221902
2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
CID 164653697
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine (CID 112519497) is N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine is CNCCc1nnc(COc2cccc(C)c2)s1.
What is the InChIKey of N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is WGQRINCDSIBWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-4-3-5-11(8-10)17-9-13-16-15-12(18-13)6-7-14-2/h3-5,8,14H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine?
N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 112519497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).