4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol

C18H16N4OS — CID 2877651

IUPAC4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1ccn2c(-c3csc(Nc4ccc(O)cc4)n3)c(C)nc2c1
InChIInChI=1S/C18H16N4OS/c1-11-7-8-22-16(9-11)19-12(2)17(22)15-10-24-18(21-15)20-13-3-5-14(23)6-4-13/h3-10,23H,1-2H3,(H,20,21)
InChIKeyJIYDQMGPLRGHEM-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.52
Rot. Bonds3

About 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 2877651) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID2877651
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1ccn2c(-c3csc(Nc4ccc(O)cc4)n3)c(C)nc2c1
InChIInChI=1S/C18H16N4OS/c1-11-7-8-22-16(9-11)19-12(2)17(22)15-10-24-18(21-15)20-13-3-5-14(23)6-4-13/h3-10,23H,1-2H3,(H,20,21)
InChIKeyJIYDQMGPLRGHEM-UHFFFAOYSA-N
XLogP4.52
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]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-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol (CID 2877651) is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol is Cc1ccn2c(-c3csc(Nc4ccc(O)cc4)n3)c(C)nc2c1.
What is the InChIKey of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is JIYDQMGPLRGHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-7-8-22-16(9-11)19-12(2)17(22)15-10-24-18(21-15)20-13-3-5-14(23)6-4-13/h3-10,23H,1-2H3,(H,20,21).
What are the key properties of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 336.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 2877651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).