1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one

C20H25N3O3S — CID 56762649

IUPAC1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SMILESCOc1ccc(C2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1
InChIInChI=1S/C20H25N3O3S/c1-12-21-19-17(20(24)22-23(19)13-7-5-4-6-8-13)18(27-12)15-10-9-14(25-2)11-16(15)26-3/h9-11,13,18H,4-8H2,1-3H3,(H,22,24)
InChIKeyBJQDEHIZSHTNJO-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.58
Rot. Bonds4

About 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one

1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one (PubChem CID 56762649) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
PubChem CID56762649
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SMILESCOc1ccc(C2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1
InChIInChI=1S/C20H25N3O3S/c1-12-21-19-17(20(24)22-23(19)13-7-5-4-6-8-13)18(27-12)15-10-9-14(25-2)11-16(15)26-3/h9-11,13,18H,4-8H2,1-3H3,(H,22,24)
InChIKeyBJQDEHIZSHTNJO-UHFFFAOYSA-N
XLogP4.58
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)-1-isopropyl-6-methyl-1,2-dihydropyrazolo[3,4-d][1,3]thiazin-3(4H)-one
CID 56763012
6-methyl-1-(tetrahydro-2H-pyran-4-yl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
CID 71706457
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-((3-fluorobenzyl)oxy)phenyl)-6-methyl-1,2-dihydropyrazolo[3,4-d][1,3]thiazin-3(4H)-one
CID 71707215
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-fluoro-4-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
CID 71828304
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
CID 71828850
4-{4-[(4-fluorobenzyl)oxy]phenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
CID 91972802
4-{4-[(2-fluorobenzyl)oxy]phenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
CID 91972852
4-{2-[(2-fluorobenzyl)oxy]phenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
CID 91972854
4-{2-[(3-fluorobenzyl)oxy]phenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
CID 91972856
4-{2-[(4-fluorobenzyl)oxy]phenyl}-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
CID 91972866
(4R)-4-(2-fluoro-4-methoxyphenyl)-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
CID 95392015
(4S)-4-(2-fluoro-4-methoxyphenyl)-6-methyl-1-propan-2-yl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
CID 95392016

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The IUPAC name of 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one (CID 56762649) is 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one.
What is the SMILES notation for 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The canonical SMILES for 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one is COc1ccc(C2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The InChIKey is BJQDEHIZSHTNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-12-21-19-17(20(24)22-23(19)13-7-5-4-6-8-13)18(27-12)15-10-9-14(25-2)11-16(15)26-3/h9-11,13,18H,4-8H2,1-3H3,(H,22,24).
What are the key properties of 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one has a molecular weight of 387.51 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2,4-dimethoxyphenyl)-6-methyl-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one is sourced from PubChem (CID 56762649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).