3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol

C11H12N2OS — CID 61282920

IUPAC3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCNCc1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C11H12N2OS/c1-12-6-10-7-13-11(15-10)8-3-2-4-9(14)5-8/h2-5,7,12,14H,6H2,1H3
InChIKeyIOTHLEZNZDNPPC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds3

About 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol

3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 61282920) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
PubChem CID61282920
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCNCc1cnc(-c2cccc(O)c2)s1
InChIInChI=1S/C11H12N2OS/c1-12-6-10-7-13-11(15-10)8-3-2-4-9(14)5-8/h2-5,7,12,14H,6H2,1H3
InChIKeyIOTHLEZNZDNPPC-UHFFFAOYSA-N
XLogP2.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol 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 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol (CID 61282920) is 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol is CNCc1cnc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is IOTHLEZNZDNPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-12-6-10-7-13-11(15-10)8-3-2-4-9(14)5-8/h2-5,7,12,14H,6H2,1H3.
What are the key properties of 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol?
3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 220.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 61282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).