6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one

C11H14N4OS — CID 11448082

IUPAC6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one
SMILESO=c1sc(NC2CCCCC2)nc2[nH]ncc12
InChIInChI=1S/C11H14N4OS/c16-10-8-6-12-15-9(8)14-11(17-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyMAOMEXJLKRUVDP-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.12
Rot. Bonds2

About 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one

6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one (PubChem CID 11448082) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one.

Molecular Properties

Compound Name6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one
PubChem CID11448082
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one
SMILESO=c1sc(NC2CCCCC2)nc2[nH]ncc12
InChIInChI=1S/C11H14N4OS/c16-10-8-6-12-15-9(8)14-11(17-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyMAOMEXJLKRUVDP-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one?
The IUPAC name of 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one (CID 11448082) is 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one.
What is the SMILES notation for 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one?
The canonical SMILES for 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one is O=c1sc(NC2CCCCC2)nc2[nH]ncc12.
What is the InChIKey of 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one?
The InChIKey is MAOMEXJLKRUVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-10-8-6-12-15-9(8)14-11(17-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15).
What are the key properties of 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one?
6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one has a molecular weight of 250.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-1H-pyrazolo[5,4-d][1,3]thiazin-4-one is sourced from PubChem (CID 11448082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).