N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine

C11H12N2S — CID 164648701

IUPACN-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine
SMILESCNCc1ccccc1-c1cnsc1
InChIInChI=1S/C11H12N2S/c1-12-6-9-4-2-3-5-11(9)10-7-13-14-8-10/h2-5,7-8,12H,6H2,1H3
InChIKeyAZWSSJIPQNYPSP-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.53
Rot. Bonds3

About N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine

N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine (PubChem CID 164648701) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine
PubChem CID164648701
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC NameN-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine
SMILESCNCc1ccccc1-c1cnsc1
InChIInChI=1S/C11H12N2S/c1-12-6-9-4-2-3-5-11(9)10-7-13-14-8-10/h2-5,7-8,12H,6H2,1H3
InChIKeyAZWSSJIPQNYPSP-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine 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-[2-(1,2-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine (CID 164648701) is N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine is CNCc1ccccc1-c1cnsc1.
What is the InChIKey of N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine?
The InChIKey is AZWSSJIPQNYPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-12-6-9-4-2-3-5-11(9)10-7-13-14-8-10/h2-5,7-8,12H,6H2,1H3.
What are the key properties of N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine?
N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 164648701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).