N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C15H16N4O2S — CID 110273886

IUPACN-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCn2ccnc2)Sc2ccccc2NC1=O
InChIInChI=1S/C15H16N4O2S/c1-15(13(20)17-7-9-19-8-6-16-10-19)14(21)18-11-4-2-3-5-12(11)22-15/h2-6,8,10H,7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyALWRUKKFFCJANE-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.50
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 110273886) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID110273886
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCn2ccnc2)Sc2ccccc2NC1=O
InChIInChI=1S/C15H16N4O2S/c1-15(13(20)17-7-9-19-8-6-16-10-19)14(21)18-11-4-2-3-5-12(11)22-15/h2-6,8,10H,7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyALWRUKKFFCJANE-UHFFFAOYSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686325
N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
CID 167796631
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356078
N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75796963
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 110273886) is N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is CC1(C(=O)NCCn2ccnc2)Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is ALWRUKKFFCJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-15(13(20)17-7-9-19-8-6-16-10-19)14(21)18-11-4-2-3-5-12(11)22-15/h2-6,8,10H,7,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 110273886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).