4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide

C20H16N2OS2 — CID 44615138

IUPAC4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide
SMILESCc1ccc(C(=O)NC2Sc3ccccc3N=C2c2cccs2)cc1
InChIInChI=1S/C20H16N2OS2/c1-13-8-10-14(11-9-13)19(23)22-20-18(17-7-4-12-24-17)21-15-5-2-3-6-16(15)25-20/h2-12,20H,1H3,(H,22,23)
InChIKeyVWNLIJFFKICUBK-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.04
Rot. Bonds3

About 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide

4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide (PubChem CID 44615138) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide
PubChem CID44615138
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide
SMILESCc1ccc(C(=O)NC2Sc3ccccc3N=C2c2cccs2)cc1
InChIInChI=1S/C20H16N2OS2/c1-13-8-10-14(11-9-13)19(23)22-20-18(17-7-4-12-24-17)21-15-5-2-3-6-16(15)25-20/h2-12,20H,1H3,(H,22,23)
InChIKeyVWNLIJFFKICUBK-UHFFFAOYSA-N
XLogP5.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide (CID 44615138) is 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide is Cc1ccc(C(=O)NC2Sc3ccccc3N=C2c2cccs2)cc1.
What is the InChIKey of 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide?
The InChIKey is VWNLIJFFKICUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-13-8-10-14(11-9-13)19(23)22-20-18(17-7-4-12-24-17)21-15-5-2-3-6-16(15)25-20/h2-12,20H,1H3,(H,22,23).
What are the key properties of 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide?
4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide has a molecular weight of 364.50 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-thiophen-2-yl-2H-1,4-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 44615138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).