4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide

C16H13N3O2S — CID 57387311

IUPAC4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESNCc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1
InChIInChI=1S/C16H13N3O2S/c17-9-10-5-7-11(8-6-10)14(20)19-16-18-13-4-2-1-3-12(13)15(21)22-16/h1-8H,9,17H2,(H,18,19,20)
InChIKeyDRCRJBJBMPFZSR-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.37
Rot. Bonds3

About 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide

4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide (PubChem CID 57387311) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
PubChem CID57387311
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESNCc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1
InChIInChI=1S/C16H13N3O2S/c17-9-10-5-7-11(8-6-10)14(20)19-16-18-13-4-2-1-3-12(13)15(21)22-16/h1-8H,9,17H2,(H,18,19,20)
InChIKeyDRCRJBJBMPFZSR-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-iminoethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 57298355
N-(4-oxo-3,1-benzothiazin-2-yl)acetamide
CID 2810227
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 104694500
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide
CID 13481964
N-(1-methyl-4-oxopyrazolo[5,4-d][1,3]thiazin-6-yl)benzamide
CID 2810067
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide (CID 57387311) is 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide is NCc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The InChIKey is DRCRJBJBMPFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-9-10-5-7-11(8-6-10)14(20)19-16-18-13-4-2-1-3-12(13)15(21)22-16/h1-8H,9,17H2,(H,18,19,20).
What are the key properties of 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 57387311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).