N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine

C13H17N3OS — CID 62188547

IUPACN-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1c(C)cc(C)cc1C
InChIInChI=1S/C13H17N3OS/c1-8-5-9(2)12(10(3)6-8)17-7-11-13(14-4)18-16-15-11/h5-6,14H,7H2,1-4H3
InChIKeyHXVWBQUPMFOMRN-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine

N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 62188547) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
PubChem CID62188547
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine
SMILESCNc1snnc1COc1c(C)cc(C)cc1C
InChIInChI=1S/C13H17N3OS/c1-8-5-9(2)12(10(3)6-8)17-7-11-13(14-4)18-16-15-11/h5-6,14H,7H2,1-4H3
InChIKeyHXVWBQUPMFOMRN-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-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-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine (CID 62188547) is N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine is CNc1snnc1COc1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is HXVWBQUPMFOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-5-9(2)12(10(3)6-8)17-7-11-13(14-4)18-16-15-11/h5-6,14H,7H2,1-4H3.
What are the key properties of N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine?
N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62188547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).