2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one

C15H19NO3S — CID 84615094

IUPAC2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)N(CCO)C(=O)C(CC)S2
InChIInChI=1S/C15H19NO3S/c1-3-12(18)10-5-6-14-11(9-10)16(7-8-17)15(19)13(4-2)20-14/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyHMFDDCPZBNPPHJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.49
Rot. Bonds5

About 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one

2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one (PubChem CID 84615094) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one
PubChem CID84615094
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one
SMILESCCC(=O)c1ccc2c(c1)N(CCO)C(=O)C(CC)S2
InChIInChI=1S/C15H19NO3S/c1-3-12(18)10-5-6-14-11(9-10)16(7-8-17)15(19)13(4-2)20-14/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyHMFDDCPZBNPPHJ-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one 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

2-ethyl-4-methyl-6-propanoyl-1,4-benzothiazin-3-one
CID 84615087
6-amino-2-ethyl-4-(2-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615651
2-ethyl-4-(2-fluoroethyl)-7-propanoyl-1,4-benzothiazin-3-one
CID 84615429
4-(2-hydroxyethyl)-2,2-dimethyl-6-propanoyl-1,4-benzothiazin-3-one
CID 84615034
2,2-dimethyl-6-propanoyl-4-propyl-1,4-benzothiazin-3-one
CID 84615023
4-(2-hydroxyethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115216152
7-acetyl-4-but-3-enyl-2-ethyl-1,4-benzothiazin-3-one
CID 84615176
4-(2-fluoroethyl)-2-methyl-7-propanoyl-1,4-benzothiazin-3-one
CID 84615410
6-amino-4-but-3-enyl-2-ethyl-1,4-benzothiazin-3-one
CID 84615669
6-acetyl-4-(2-hydroxyethyl)-2,2-dimethyl-1,4-benzothiazin-3-one
CID 84614921
6-(aminomethyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115216197
2-methyl-7-propanoyl-4-prop-2-enyl-1,4-benzothiazin-3-one
CID 84615397

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one?
The IUPAC name of 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one (CID 84615094) is 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one?
The canonical SMILES for 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one is CCC(=O)c1ccc2c(c1)N(CCO)C(=O)C(CC)S2.
What is the InChIKey of 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one?
The InChIKey is HMFDDCPZBNPPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-3-12(18)10-5-6-14-11(9-10)16(7-8-17)15(19)13(4-2)20-14/h5-6,9,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one?
2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one has a molecular weight of 293.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-hydroxyethyl)-6-propanoyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).