N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide

C14H19N3S — CID 25234808

IUPACN'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide
SMILESCCN(CC)/C(C)=N/C1=Nc2ccccc2SC1
InChIInChI=1S/C14H19N3S/c1-4-17(5-2)11(3)15-14-10-18-13-9-7-6-8-12(13)16-14/h6-9H,4-5,10H2,1-3H3/b15-11+
InChIKeyVZNBRPLBTOYTPE-RVDMUPIBSA-N
MW261.39 g/mol
LogP3.58
Rot. Bonds2

About N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide

N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide (PubChem CID 25234808) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide.

Molecular Properties

Compound NameN'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide
PubChem CID25234808
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide
SMILESCCN(CC)/C(C)=N/C1=Nc2ccccc2SC1
InChIInChI=1S/C14H19N3S/c1-4-17(5-2)11(3)15-14-10-18-13-9-7-6-8-12(13)16-14/h6-9H,4-5,10H2,1-3H3/b15-11+
InChIKeyVZNBRPLBTOYTPE-RVDMUPIBSA-N
XLogP3.58
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide?
The IUPAC name of N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide (CID 25234808) is N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide.
What is the SMILES notation for N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide?
The canonical SMILES for N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide is CCN(CC)/C(C)=N/C1=Nc2ccccc2SC1.
What is the InChIKey of N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide?
The InChIKey is VZNBRPLBTOYTPE-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-17(5-2)11(3)15-14-10-18-13-9-7-6-8-12(13)16-14/h6-9H,4-5,10H2,1-3H3/b15-11+.
What are the key properties of N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide?
N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide has a molecular weight of 261.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-1,4-benzothiazin-3-yl)-N,N-diethylethanimidamide is sourced from PubChem (CID 25234808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).