N-phenyl-4H-3,1-benzothiazin-2-amine

C14H12N2S — CID 2998436

IUPACN-phenyl-4H-3,1-benzothiazin-2-amine
SMILESc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C14H12N2S/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16)
InChIKeySBKNNFLJGWHKMG-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.03
Rot. Bonds1

About N-phenyl-4H-3,1-benzothiazin-2-amine

N-phenyl-4H-3,1-benzothiazin-2-amine (PubChem CID 2998436) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-phenyl-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4H-3,1-benzothiazin-2-amine
PubChem CID2998436
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-phenyl-4H-3,1-benzothiazin-2-amine
SMILESc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C14H12N2S/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16)
InChIKeySBKNNFLJGWHKMG-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Xylazine
CID 5707
Xylazine Hydrochloride
CID 68554
N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2133441
N-Phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 605734
2-Phenylquinazoline-4(1H)-thione
CID 838258
Methyl n,n'-diphenylcarbamimidothioate
CID 221767
2-Benzyl-4-quinazolinethiol
CID 806173
2-(1-Naphthylamino)-2-thiazoline
CID 97605
N-(2,6-Dimethylphenyl)-4,5-dihydro-2-thiazolamine
CID 32889
N-(2,4-Dimethylphenyl)-4,5-dihydro-2-thiazolamine
CID 99296
(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1090093
N-(2-Methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2064062

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-phenyl-4H-3,1-benzothiazin-2-amine (CID 2998436) is N-phenyl-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-phenyl-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-phenyl-4H-3,1-benzothiazin-2-amine is c1ccc(NC2=Nc3ccccc3CS2)cc1.
What is the InChIKey of N-phenyl-4H-3,1-benzothiazin-2-amine?
The InChIKey is SBKNNFLJGWHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-7-12(8-3-1)15-14-16-13-9-5-4-6-11(13)10-17-14/h1-9H,10H2,(H,15,16).
What are the key properties of N-phenyl-4H-3,1-benzothiazin-2-amine?
N-phenyl-4H-3,1-benzothiazin-2-amine has a molecular weight of 240.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 2998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).