2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol

C16H16F2N4OS — CID 170787655

IUPAC2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-n2cc3sc(NC4(C(F)F)CC4)nc3n2)c(O)c1
InChIInChI=1S/C16H16F2N4OS/c1-8-5-9(2)12(10(23)6-8)22-7-11-13(21-22)19-15(24-11)20-16(3-4-16)14(17)18/h5-7,14,23H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyFGAIPIAUWZIYBG-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.01
Rot. Bonds4

About 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol

2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol (PubChem CID 170787655) has the molecular formula C16H16F2N4OS and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
PubChem CID170787655
Molecular FormulaC16H16F2N4OS
Molecular Weight350.39 g/mol
Exact Mass350.10
IUPAC Name2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-n2cc3sc(NC4(C(F)F)CC4)nc3n2)c(O)c1
InChIInChI=1S/C16H16F2N4OS/c1-8-5-9(2)12(10(23)6-8)22-7-11-13(21-22)19-15(24-11)20-16(3-4-16)14(17)18/h5-7,14,23H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyFGAIPIAUWZIYBG-UHFFFAOYSA-N
XLogP4.01
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol with MolForge

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Related Compounds

3-(2,2-difluorocyclopropyl)-2-[5-[[(2R)-2-hydroxypropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-5-methylphenol
CID 170787643
2,2-Difluoro-1-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]pyrrolidin-1-yl]ethanone
CID 170787646
1-[(3S,4Z)-3-fluoro-4-[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]iminopyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 170787649
3-chloro-2-[5-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-5-methylphenol
CID 170787650
3,3-Difluoro-1-[3-[[2-(2-hydroxy-4,6-dimethylphenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]amino]piperidin-1-yl]propan-1-one
CID 170787666
5-chloro-2-[5-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3-methylphenol
CID 170787667
N-[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]-2-[2-(methoxymethoxy)-4,6-dimethylphenyl]pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 170787668
5-(difluoromethoxy)-2-[5-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3-methylphenol
CID 170787669
2-[5-(2,2-Difluoroethylamino)pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 170787673
2-[5-[(1-Fluorocyclobutyl)methylamino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 170787675
2-[5-(2,2-Difluoropropylamino)pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol
CID 170787678
2-[5-[[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]methylamino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-5-methoxy-3-methylphenol
CID 170787680

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol (CID 170787655) is 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol is Cc1cc(C)c(-n2cc3sc(NC4(C(F)F)CC4)nc3n2)c(O)c1.
What is the InChIKey of 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol?
The InChIKey is FGAIPIAUWZIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS/c1-8-5-9(2)12(10(23)6-8)22-7-11-13(21-22)19-15(24-11)20-16(3-4-16)14(17)18/h5-7,14,23H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol?
2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol has a molecular weight of 350.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(difluoromethyl)cyclopropyl]amino]pyrazolo[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylphenol is sourced from PubChem (CID 170787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).