2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C14H20N2OS — CID 84639552

IUPAC2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCNCC(=O)N1CCSc2cccc(C(C)C)c21
InChIInChI=1S/C14H20N2OS/c1-10(2)11-5-4-6-12-14(11)16(7-8-18-12)13(17)9-15-3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyLIIWNRLPANIXAD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.47
Rot. Bonds3

About 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 84639552) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID84639552
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESCNCC(=O)N1CCSc2cccc(C(C)C)c21
InChIInChI=1S/C14H20N2OS/c1-10(2)11-5-4-6-12-14(11)16(7-8-18-12)13(17)9-15-3/h4-6,10,15H,7-9H2,1-3H3
InChIKeyLIIWNRLPANIXAD-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-3-(methylamino)propan-1-one
CID 84639546
1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84644610
4-(5-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoic acid
CID 84643581
2-(5-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84628824
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 87029582
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8591952
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol
CID 84640010
2-(5-tert-butyl-2,3-dihydro-1,4-benzothiazin-4-yl)-N-methylethanamine
CID 84639627
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052
1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 84639552) is 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is CNCC(=O)N1CCSc2cccc(C(C)C)c21.
What is the InChIKey of 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is LIIWNRLPANIXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)11-5-4-6-12-14(11)16(7-8-18-12)13(17)9-15-3/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 84639552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).