N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine

C14H11ClN2S — CID 671440

IUPACN-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine
SMILESClc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C14H11ClN2S/c15-11-5-7-12(8-6-11)16-14-17-13-4-2-1-3-10(13)9-18-14/h1-8H,9H2,(H,16,17)
InChIKeySWFHRQOZHZAPMQ-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.69
Rot. Bonds1

About N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine

N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine (PubChem CID 671440) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine
PubChem CID671440
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC NameN-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine
SMILESClc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C14H11ClN2S/c15-11-5-7-12(8-6-11)16-14-17-13-4-2-1-3-10(13)9-18-14/h1-8H,9H2,(H,16,17)
InChIKeySWFHRQOZHZAPMQ-UHFFFAOYSA-N
XLogP4.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine (CID 671440) is N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine is Clc1ccc(NC2=Nc3ccccc3CS2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine?
The InChIKey is SWFHRQOZHZAPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-5-7-12(8-6-11)16-14-17-13-4-2-1-3-10(13)9-18-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine?
N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine has a molecular weight of 274.78 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).