N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H15N3O2S2 — CID 35996022

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2c1
InChIInChI=1S/C18H15N3O2S2/c1-2-10-3-5-12-15(7-10)25-18(20-12)21-17(23)11-4-6-14-13(8-11)19-16(22)9-24-14/h3-8H,2,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeySUWACXNFDXTHRI-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.16
Rot. Bonds3

About N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 35996022) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID35996022
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2c1
InChIInChI=1S/C18H15N3O2S2/c1-2-10-3-5-12-15(7-10)25-18(20-12)21-17(23)11-4-6-14-13(8-11)19-16(22)9-24-14/h3-8H,2,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeySUWACXNFDXTHRI-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 43043166
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 26243830
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 35565242
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxybenzotriazole-5-carboxamide
CID 2103166
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
N-(6-ethyl-1,3-benzothiazol-2-yl)-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 56829370
N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108809057
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 38135193
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 112794484

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 35996022) is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is SUWACXNFDXTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-2-10-3-5-12-15(7-10)25-18(20-12)21-17(23)11-4-6-14-13(8-11)19-16(22)9-24-14/h3-8H,2,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 35996022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).