4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C19H17N3OS — CID 7066897

IUPAC4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C19H17N3OS/c1-12-4-3-5-13(2)16(12)20-18-17(14-6-8-15(23)9-7-14)21-19-22(18)10-11-24-19/h3-11,20,23H,1-2H3
InChIKeyBOTKZOALQIUDCS-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.13
Rot. Bonds3

About 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol

4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 7066897) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID7066897
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C19H17N3OS/c1-12-4-3-5-13(2)16(12)20-18-17(14-6-8-15(23)9-7-14)21-19-22(18)10-11-24-19/h3-11,20,23H,1-2H3
InChIKeyBOTKZOALQIUDCS-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

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Related Compounds

3-[5-[2-[2-(5-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631875
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 700755
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
4-[5-(2,6-Dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol
CID 7066908
N-[3-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 138607201
3-[5-[2-[2-(1,1-Dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631831
3-[5-[2-[2-(4,4-Dimethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631879
3-[5-[2-[2-(5-Benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631891
3-[5-[2-[2-(1,1-Dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138632019
3-[5-[2-[2-(6-Methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138632025
5-[5-[2-[2-(5-Ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol
CID 146538888
2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol
CID 10775929

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 7066897) is 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2sccn12.
What is the InChIKey of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is BOTKZOALQIUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-4-3-5-13(2)16(12)20-18-17(14-6-8-15(23)9-7-14)21-19-22(18)10-11-24-19/h3-11,20,23H,1-2H3.
What are the key properties of 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
4-[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 4-[5-(2,6-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 7066897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).