N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C17H13N3O2S3 — CID 37015475

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H13N3O2S3/c21-15(6-12-8-25-17(19-12)10-3-4-23-7-10)18-11-1-2-14-13(5-11)20-16(22)9-24-14/h1-5,7-8H,6,9H2,(H,18,21)(H,20,22)
InChIKeyZQXQZURZTKOIOF-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.10
Rot. Bonds4

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 37015475) has the molecular formula C17H13N3O2S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID37015475
Molecular FormulaC17H13N3O2S3
Molecular Weight387.51 g/mol
Exact Mass387.02
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H13N3O2S3/c21-15(6-12-8-25-17(19-12)10-3-4-23-7-10)18-11-1-2-14-13(5-11)20-16(22)9-24-14/h1-5,7-8H,6,9H2,(H,18,21)(H,20,22)
InChIKeyZQXQZURZTKOIOF-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-thiophen-3-ylpropanamide
CID 37015324
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 55668062
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141
N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55960719
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51949429
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 48507454

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 37015475) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZQXQZURZTKOIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S3/c21-15(6-12-8-25-17(19-12)10-3-4-23-7-10)18-11-1-2-14-13(5-11)20-16(22)9-24-14/h1-5,7-8H,6,9H2,(H,18,21)(H,20,22).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 37015475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).