3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C19H17N3OS — CID 7338327

IUPAC3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12
InChIInChI=1S/C19H17N3OS/c1-12-5-3-6-13(2)16(12)20-18-17(14-7-4-8-15(23)11-14)21-19-22(18)9-10-24-19/h3-11,20,23H,1-2H3
InChIKeyNKVYYQNLSYZWDJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.13
Rot. Bonds3

About 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 7338327) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID7338327
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12
InChIInChI=1S/C19H17N3OS/c1-12-5-3-6-13(2)16(12)20-18-17(14-7-4-8-15(23)11-14)21-19-22(18)9-10-24-19/h3-11,20,23H,1-2H3
InChIKeyNKVYYQNLSYZWDJ-UHFFFAOYSA-N
XLogP5.13
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-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-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 7338327) is 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Cc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2sccn12.
What is the InChIKey of 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is NKVYYQNLSYZWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-5-3-6-13(2)16(12)20-18-17(14-7-4-8-15(23)11-14)21-19-22(18)9-10-24-19/h3-11,20,23H,1-2H3.
What are the key properties of 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 335.43 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 7338327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).