2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one

C15H16N4O2S — CID 120859290

IUPAC2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one
SMILESNC1(c2noc(CC3Sc4ccccc4NC3=O)n2)CCC1
InChIInChI=1S/C15H16N4O2S/c16-15(6-3-7-15)14-18-12(21-19-14)8-11-13(20)17-9-4-1-2-5-10(9)22-11/h1-2,4-5,11H,3,6-8,16H2,(H,17,20)
InChIKeyWQGHMBWJLYQDHO-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.06
Rot. Bonds3

About 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one

2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one (PubChem CID 120859290) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one
PubChem CID120859290
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one
SMILESNC1(c2noc(CC3Sc4ccccc4NC3=O)n2)CCC1
InChIInChI=1S/C15H16N4O2S/c16-15(6-3-7-15)14-18-12(21-19-14)8-11-13(20)17-9-4-1-2-5-10(9)22-11/h1-2,4-5,11H,3,6-8,16H2,(H,17,20)
InChIKeyWQGHMBWJLYQDHO-UHFFFAOYSA-N
XLogP2.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one with MolForge

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Related Compounds

2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-6-chloro-4H-1,4-benzothiazin-3-one;hydrochloride
CID 120850280
3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 120853350
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 97194233
1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864592
1-[5-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852688
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859760
1-[5-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862580
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one (CID 120859290) is 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one is NC1(c2noc(CC3Sc4ccccc4NC3=O)n2)CCC1.
What is the InChIKey of 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is WQGHMBWJLYQDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-15(6-3-7-15)14-18-12(21-19-14)8-11-13(20)17-9-4-1-2-5-10(9)22-11/h1-2,4-5,11H,3,6-8,16H2,(H,17,20).
What are the key properties of 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one?
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 316.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 120859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).