1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one

C17H23N5OS — CID 56761003

IUPAC1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SMILESCC1=Nc2c(c(=O)[nH]n2C2CCCC2)C(c2c(C)nn(C)c2C)S1
InChIInChI=1S/C17H23N5OS/c1-9-13(10(2)21(4)19-9)15-14-16(18-11(3)24-15)22(20-17(14)23)12-7-5-6-8-12/h12,15H,5-8H2,1-4H3,(H,20,23)
InChIKeyUICSHDRXCQXSOC-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.53
Rot. Bonds2

About 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one

1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one (PubChem CID 56761003) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one.

Molecular Properties

Compound Name1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
PubChem CID56761003
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
SMILESCC1=Nc2c(c(=O)[nH]n2C2CCCC2)C(c2c(C)nn(C)c2C)S1
InChIInChI=1S/C17H23N5OS/c1-9-13(10(2)21(4)19-9)15-14-16(18-11(3)24-15)22(20-17(14)23)12-7-5-6-8-12/h12,15H,5-8H2,1-4H3,(H,20,23)
InChIKeyUICSHDRXCQXSOC-UHFFFAOYSA-N
XLogP3.53
TPSA67.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The IUPAC name of 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one (CID 56761003) is 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one.
What is the SMILES notation for 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The canonical SMILES for 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one is CC1=Nc2c(c(=O)[nH]n2C2CCCC2)C(c2c(C)nn(C)c2C)S1.
What is the InChIKey of 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
The InChIKey is UICSHDRXCQXSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-9-13(10(2)21(4)19-9)15-14-16(18-11(3)24-15)22(20-17(14)23)12-7-5-6-8-12/h12,15H,5-8H2,1-4H3,(H,20,23).
What are the key properties of 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one?
1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one has a molecular weight of 345.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-one is sourced from PubChem (CID 56761003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).