N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide

C14H12N2O2S2 — CID 110784738

IUPACN-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
SMILESO=C1CSc2ccc(CNC(=O)c3cccs3)cc2N1
InChIInChI=1S/C14H12N2O2S2/c17-13-8-20-11-4-3-9(6-10(11)16-13)7-15-14(18)12-2-1-5-19-12/h1-6H,7-8H2,(H,15,18)(H,16,17)
InChIKeyCXHDQCASPVLTLP-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.72
Rot. Bonds3

About N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide

N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide (PubChem CID 110784738) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
PubChem CID110784738
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
SMILESO=C1CSc2ccc(CNC(=O)c3cccs3)cc2N1
InChIInChI=1S/C14H12N2O2S2/c17-13-8-20-11-4-3-9(6-10(11)16-13)7-15-14(18)12-2-1-5-19-12/h1-6H,7-8H2,(H,15,18)(H,16,17)
InChIKeyCXHDQCASPVLTLP-UHFFFAOYSA-N
XLogP2.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 115152395
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
CID 115259923
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110771494
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518

Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide (CID 110784738) is N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide is O=C1CSc2ccc(CNC(=O)c3cccs3)cc2N1.
What is the InChIKey of N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide?
The InChIKey is CXHDQCASPVLTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-13-8-20-11-4-3-9(6-10(11)16-13)7-15-14(18)12-2-1-5-19-12/h1-6H,7-8H2,(H,15,18)(H,16,17).
What are the key properties of N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide?
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 110784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).