4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one

C16H17F2N3O2S — CID 56762945

IUPAC4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SMILESCC1=Nc2c(c(=O)[nH]n2C(C)C)C(c2cccc(OC(F)F)c2)S1
InChIInChI=1S/C16H17F2N3O2S/c1-8(2)21-14-12(15(22)20-21)13(24-9(3)19-14)10-5-4-6-11(7-10)23-16(17)18/h4-8,13,16H,1-3H3,(H,20,22)
InChIKeyPOHHPSBNOXXEMU-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.24
Rot. Bonds4

About 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one

4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one (PubChem CID 56762945) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
PubChem CID56762945
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SMILESCC1=Nc2c(c(=O)[nH]n2C(C)C)C(c2cccc(OC(F)F)c2)S1
InChIInChI=1S/C16H17F2N3O2S/c1-8(2)21-14-12(15(22)20-21)13(24-9(3)19-14)10-5-4-6-11(7-10)23-16(17)18/h4-8,13,16H,1-3H3,(H,20,22)
InChIKeyPOHHPSBNOXXEMU-UHFFFAOYSA-N
XLogP4.24
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one 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-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one (CID 56762945) is 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one is CC1=Nc2c(c(=O)[nH]n2C(C)C)C(c2cccc(OC(F)F)c2)S1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The InChIKey is POHHPSBNOXXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c1-8(2)21-14-12(15(22)20-21)13(24-9(3)19-14)10-5-4-6-11(7-10)23-16(17)18/h4-8,13,16H,1-3H3,(H,20,22).
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one has a molecular weight of 353.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one is sourced from PubChem (CID 56762945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).