3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol

C12H13N3OS — CID 4123230

IUPAC3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol
SMILESCC(=NNc1nc(C)cs1)c1cccc(O)c1
InChIInChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,16H,1-2H3,(H,13,15)
InChIKeyBBFRZEWKHAVALH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.99
Rot. Bonds3

About 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol

3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol (PubChem CID 4123230) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol.

Molecular Properties

Compound Name3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol
PubChem CID4123230
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol
SMILESCC(=NNc1nc(C)cs1)c1cccc(O)c1
InChIInChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,16H,1-2H3,(H,13,15)
InChIKeyBBFRZEWKHAVALH-UHFFFAOYSA-N
XLogP2.99
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]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-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
The IUPAC name of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol (CID 4123230) is 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol.
What is the SMILES notation for 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
The canonical SMILES for 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol is CC(=NNc1nc(C)cs1)c1cccc(O)c1.
What is the InChIKey of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
The InChIKey is BBFRZEWKHAVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,16H,1-2H3,(H,13,15).
What are the key properties of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol has a molecular weight of 247.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol is sourced from PubChem (CID 4123230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).