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

C16H23N3S — CID 59437105

IUPACN'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide
SMILESCCCN(CCC)/C(C)=N/C1=Nc2ccccc2SC1
InChIInChI=1S/C16H23N3S/c1-4-10-19(11-5-2)13(3)17-16-12-20-15-9-7-6-8-14(15)18-16/h6-9H,4-5,10-12H2,1-3H3/b17-13+
InChIKeyGAZQGXCZVAYWKM-GHRIWEEISA-N
MW289.45 g/mol
LogP4.36
Rot. Bonds4

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

N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide (PubChem CID 59437105) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide.

Molecular Properties

Compound NameN'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide
PubChem CID59437105
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide
SMILESCCCN(CCC)/C(C)=N/C1=Nc2ccccc2SC1
InChIInChI=1S/C16H23N3S/c1-4-10-19(11-5-2)13(3)17-16-12-20-15-9-7-6-8-14(15)18-16/h6-9H,4-5,10-12H2,1-3H3/b17-13+
InChIKeyGAZQGXCZVAYWKM-GHRIWEEISA-N
XLogP4.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.36
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-dipropylethanimidamide?
The IUPAC name of N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide (CID 59437105) is N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide.
What is the SMILES notation for N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide?
The canonical SMILES for N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide is CCCN(CCC)/C(C)=N/C1=Nc2ccccc2SC1.
What is the InChIKey of N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide?
The InChIKey is GAZQGXCZVAYWKM-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-10-19(11-5-2)13(3)17-16-12-20-15-9-7-6-8-14(15)18-16/h6-9H,4-5,10-12H2,1-3H3/b17-13+.
What are the key properties of N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide?
N'-(2H-1,4-benzothiazin-3-yl)-N,N-dipropylethanimidamide has a molecular weight of 289.45 g/mol, XLogP of 4.36, 4 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-dipropylethanimidamide is sourced from PubChem (CID 59437105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).