N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C13H17N3O2S — CID 119504574

IUPACN-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCNCCNC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H17N3O2S/c1-2-14-5-6-15-13(18)9-3-4-11-10(7-9)16-12(17)8-19-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRXHSCSYVXWFNBG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.07
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 119504574) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID119504574
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCNCCNC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C13H17N3O2S/c1-2-14-5-6-15-13(18)9-3-4-11-10(7-9)16-12(17)8-19-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRXHSCSYVXWFNBG-UHFFFAOYSA-N
XLogP1.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide 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

N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 115643288
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 30470823
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26778059

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 119504574) is N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCNCCNC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is RXHSCSYVXWFNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-14-5-6-15-13(18)9-3-4-11-10(7-9)16-12(17)8-19-11/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 119504574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).