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

C19H17N3OS — CID 7338324

IUPAC4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccc(O)cc3)nc3sccn23)c(C)c1
InChIInChI=1S/C19H17N3OS/c1-12-3-8-16(13(2)11-12)20-18-17(14-4-6-15(23)7-5-14)21-19-22(18)9-10-24-19/h3-11,20,23H,1-2H3
InChIKeyPPMXNYVYPCKVJY-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.13
Rot. Bonds3

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

4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 7338324) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID7338324
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESCc1ccc(Nc2c(-c3ccc(O)cc3)nc3sccn23)c(C)c1
InChIInChI=1S/C19H17N3OS/c1-12-3-8-16(13(2)11-12)20-18-17(14-4-6-15(23)7-5-14)21-19-22(18)9-10-24-19/h3-11,20,23H,1-2H3
InChIKeyPPMXNYVYPCKVJY-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-[5-(2,6-Dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]-2-methoxyphenol
CID 7066908
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-Bromo-2-(5-(o-tolylamino)imidazo[2,1-b]thiazol-6-yl)phenol
CID 15988946
3-{5-[(2-Ethyl-6-methylphenyl)amino]imidazo[2,1-b][1,3]thiazol-6-yl}phenol
CID 15988973
2-[(E)-[6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 135448230
4-hydroxy-N-[2-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607160
4-[2-[[6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol
CID 142505375

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 7338324) is 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3sccn23)c(C)c1.
What is the InChIKey of 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is PPMXNYVYPCKVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-3-8-16(13(2)11-12)20-18-17(14-4-6-15(23)7-5-14)21-19-22(18)9-10-24-19/h3-11,20,23H,1-2H3.
What are the key properties of 4-[5-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
4-[5-(2,4-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-(2,4-dimethylanilino)imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 7338324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).