N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine

C11H12ClN3S — CID 43408475

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1nnsc1Cl
InChIInChI=1S/C11H12ClN3S/c1-15(7-9-5-3-2-4-6-9)8-10-11(12)16-14-13-10/h2-6H,7-8H2,1H3
InChIKeyNNHBGBAUTPRSNG-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.82
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 43408475) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID43408475
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1nnsc1Cl
InChIInChI=1S/C11H12ClN3S/c1-15(7-9-5-3-2-4-6-9)8-10-11(12)16-14-13-10/h2-6H,7-8H2,1H3
InChIKeyNNHBGBAUTPRSNG-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine 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-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine (CID 43408475) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is NNHBGBAUTPRSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-15(7-9-5-3-2-4-6-9)8-10-11(12)16-14-13-10/h2-6H,7-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 253.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 43408475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).