6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine

C20H15ClN2S — CID 163672127

IUPAC6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine
SMILESClc1ccc2c(c1)C(c1ccccc1)SC(Nc1ccccc1)=N2
InChIInChI=1S/C20H15ClN2S/c21-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)24-20(23-18)22-16-9-5-2-6-10-16/h1-13,19H,(H,22,23)
InChIKeyJDLZDXONRQMSMC-UHFFFAOYSA-N
MW350.87 g/mol
LogP6.28
Rot. Bonds2

About 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine

6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine (PubChem CID 163672127) has the molecular formula C20H15ClN2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine
PubChem CID163672127
Molecular FormulaC20H15ClN2S
Molecular Weight350.87 g/mol
Exact Mass350.06
IUPAC Name6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine
SMILESClc1ccc2c(c1)C(c1ccccc1)SC(Nc1ccccc1)=N2
InChIInChI=1S/C20H15ClN2S/c21-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)24-20(23-18)22-16-9-5-2-6-10-16/h1-13,19H,(H,22,23)
InChIKeyJDLZDXONRQMSMC-UHFFFAOYSA-N
XLogP6.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.87
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-4H-3,1-benzothiazin-2-amine
CID 135452189
1-Naphthylamine, 4-chloro-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-
CID 59280
N-(4-chlorophenyl)-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
CID 90671465
Etasuline
CID 135407187
6-chloro-2-[(E)-2-phenylethenyl]-1H-quinazoline-4-thione
CID 14668183
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
4-Ethyl-n-phenyl-4h-3,1-benzothiazin-2-amine
CID 86082876
N-(4-Chloro-2-methylphenyl)-4,5-dihydro-2-thiazolamine
CID 14033151
7-chloro-3-[(5-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline
CID 169005127
7-chloro-3-[(6-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline
CID 169005313
7-chloro-3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-9-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
CID 169005345
(4-Chloro-phenyl)-(1,4-dihydro-benzo[d][1,3]thiazin-2-ylidene)-amine
CID 671440

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
The IUPAC name of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine (CID 163672127) is 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine is Clc1ccc2c(c1)C(c1ccccc1)SC(Nc1ccccc1)=N2.
What is the InChIKey of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
The InChIKey is JDLZDXONRQMSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2S/c21-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)24-20(23-18)22-16-9-5-2-6-10-16/h1-13,19H,(H,22,23).
What are the key properties of 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine?
6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine has a molecular weight of 350.87 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,4-diphenyl-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 163672127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).