4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol

C12H14N2OS — CID 115691416

IUPAC4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
SMILESCc1nc(NCc2ccc(O)cc2)sc1C
InChIInChI=1S/C12H14N2OS/c1-8-9(2)16-12(14-8)13-7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14)
InChIKeySARBTOSXTNXWMG-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.08
Rot. Bonds3

About 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol

4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol (PubChem CID 115691416) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
PubChem CID115691416
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol
SMILESCc1nc(NCc2ccc(O)cc2)sc1C
InChIInChI=1S/C12H14N2OS/c1-8-9(2)16-12(14-8)13-7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14)
InChIKeySARBTOSXTNXWMG-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]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 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol (CID 115691416) is 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol is Cc1nc(NCc2ccc(O)cc2)sc1C.
What is the InChIKey of 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol?
The InChIKey is SARBTOSXTNXWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-9(2)16-12(14-8)13-7-10-3-5-11(15)6-4-10/h3-6,15H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol?
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol has a molecular weight of 234.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]phenol is sourced from PubChem (CID 115691416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).