4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol

C18H21N5OS — CID 166825779

IUPAC4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol
SMILESCc1nc(NCCc2ccc(O)cc2)c2nc3n(c2n1)C(C)(C)CS3
InChIInChI=1S/C18H21N5OS/c1-11-20-15(19-9-8-12-4-6-13(24)7-5-12)14-16(21-11)23-17(22-14)25-10-18(23,2)3/h4-7,24H,8-10H2,1-3H3,(H,19,20,21)
InChIKeyJYIJSHUOOAHEAM-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.34
Rot. Bonds4

About 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol

4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol (PubChem CID 166825779) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol
PubChem CID166825779
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol
SMILESCc1nc(NCCc2ccc(O)cc2)c2nc3n(c2n1)C(C)(C)CS3
InChIInChI=1S/C18H21N5OS/c1-11-20-15(19-9-8-12-4-6-13(24)7-5-12)14-16(21-11)23-17(22-14)25-10-18(23,2)3/h4-7,24H,8-10H2,1-3H3,(H,19,20,21)
InChIKeyJYIJSHUOOAHEAM-UHFFFAOYSA-N
XLogP3.34
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol with MolForge

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Related Compounds

2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 166825780
4-[2-hydroxy-5-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]benzonitrile
CID 166825786
2-(3-methylsulfonylphenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 166825676
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-8,8-dimethyl-7H-purino[8,9-b][1,3]thiazol-4-amine
CID 162474601
3-[5-[2-[[(8R)-2,8-dimethyl-7,8-dihydropurino[8,9-b][1,3]thiazol-4-yl]amino]ethyl]-2-hydroxyphenyl]benzonitrile
CID 166825703
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
N-[2-(4-fluorophenyl)ethyl]-2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-amine
CID 162474625
4-[2-[[2-(2-fluoro-3H-azepin-3-yl)-8-methyl-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 138648210
4-fluoro-3-[2-hydroxy-5-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]benzonitrile
CID 166825587
N-[2-(4-fluorophenyl)ethyl]-2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-amine
CID 162474670

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol (CID 166825779) is 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol is Cc1nc(NCCc2ccc(O)cc2)c2nc3n(c2n1)C(C)(C)CS3.
What is the InChIKey of 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol?
The InChIKey is JYIJSHUOOAHEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11-20-15(19-9-8-12-4-6-13(24)7-5-12)14-16(21-11)23-17(22-14)25-10-18(23,2)3/h4-7,24H,8-10H2,1-3H3,(H,19,20,21).
What are the key properties of 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol?
4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol has a molecular weight of 355.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]thiazol-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 166825779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).