2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

C19H30N4OS — CID 22577641

IUPAC2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCC1CN(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2S1
InChIInChI=1S/C19H30N4OS/c1-16-14-23(17-6-3-4-7-18(17)25-16)15-19(24)20-8-5-9-22-12-10-21(2)11-13-22/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,20,24)
InChIKeyFIEOZLOTPQUNQI-UHFFFAOYSA-N
MW362.54 g/mol
LogP1.74
Rot. Bonds6

About 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 22577641) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID22577641
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCC1CN(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2S1
InChIInChI=1S/C19H30N4OS/c1-16-14-23(17-6-3-4-7-18(17)25-16)15-19(24)20-8-5-9-22-12-10-21(2)11-13-22/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,20,24)
InChIKeyFIEOZLOTPQUNQI-UHFFFAOYSA-N
XLogP1.74
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 92875430
2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(4-methylphenyl)acetamide
CID 92875307
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-[(4-ethoxyphenyl)methyl]-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713164
N,N-diethyl-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352636
N-(2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875312
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 92875216
N-(2,4-dimethylphenyl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875277
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352663
2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 92502222
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352677
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875295

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide (CID 22577641) is 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide is CC1CN(CC(=O)NCCCN2CCN(C)CC2)c2ccccc2S1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is FIEOZLOTPQUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-16-14-23(17-6-3-4-7-18(17)25-16)15-19(24)20-8-5-9-22-12-10-21(2)11-13-22/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,20,24).
What are the key properties of 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide?
2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 362.54 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 22577641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).