4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one

C18H25N3O2S — CID 75768019

IUPAC4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
SMILESCCN1CCN(C(=O)C2(C)Sc3ccccc3N(CC)C2=O)CC1
InChIInChI=1S/C18H25N3O2S/c1-4-19-10-12-20(13-11-19)16(22)18(3)17(23)21(5-2)14-8-6-7-9-15(14)24-18/h6-9H,4-5,10-13H2,1-3H3
InChIKeyQDZSZMSLQMAEFA-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.07
Rot. Bonds3

About 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one

4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one (PubChem CID 75768019) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
PubChem CID75768019
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
SMILESCCN1CCN(C(=O)C2(C)Sc3ccccc3N(CC)C2=O)CC1
InChIInChI=1S/C18H25N3O2S/c1-4-19-10-12-20(13-11-19)16(22)18(3)17(23)21(5-2)14-8-6-7-9-15(14)24-18/h6-9H,4-5,10-13H2,1-3H3
InChIKeyQDZSZMSLQMAEFA-UHFFFAOYSA-N
XLogP2.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-methyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzothiazin-3-one
CID 75768089
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 75768029
2-(azepane-1-carbonyl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 56686351
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767999
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769300
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768064
ethyl 1-(2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxylate
CID 75767836
N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767979
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one (CID 75768019) is 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one is CCN1CCN(C(=O)C2(C)Sc3ccccc3N(CC)C2=O)CC1.
What is the InChIKey of 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is QDZSZMSLQMAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-19-10-12-20(13-11-19)16(22)18(3)17(23)21(5-2)14-8-6-7-9-15(14)24-18/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one?
4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one has a molecular weight of 347.48 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 75768019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).