1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one

C20H23N3O3S — CID 86928371

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCSc2ccccc21)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H23N3O3S/c1-15(19(24)23-11-13-27-18-5-3-2-4-17(18)23)21-7-9-22(10-8-21)20(25)16-6-12-26-14-16/h2-6,12,14-15H,7-11,13H2,1H3
InChIKeyVEZINKBSMCGCKN-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.56
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 86928371) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID86928371
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCSc2ccccc21)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H23N3O3S/c1-15(19(24)23-11-13-27-18-5-3-2-4-17(18)23)21-7-9-22(10-8-21)20(25)16-6-12-26-14-16/h2-6,12,14-15H,7-11,13H2,1H3
InChIKeyVEZINKBSMCGCKN-UHFFFAOYSA-N
XLogP2.56
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 95349308
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202862
N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
CID 42955051
2-(4-cyclohexyloxypiperidin-1-yl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)propan-1-one
CID 86873895
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119919695
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34952537
(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one
CID 97239151
formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide
CID 154918994

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one (CID 86928371) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCSc2ccccc21)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is VEZINKBSMCGCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15(19(24)23-11-13-27-18-5-3-2-4-17(18)23)21-7-9-22(10-8-21)20(25)16-6-12-26-14-16/h2-6,12,14-15H,7-11,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 385.49 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86928371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).