1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine

C20H16N2O3S — CID 1194613

IUPAC1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2ccc(OCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C20H16N2O3S/c23-26(24)19-9-5-4-8-18(19)20(22-26)21-16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,22)
InChIKeyZZQAGMZPDMKBQK-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.83
Rot. Bonds4

About 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine

1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine (PubChem CID 1194613) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine
PubChem CID1194613
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2ccc(OCc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C20H16N2O3S/c23-26(24)19-9-5-4-8-18(19)20(22-26)21-16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,22)
InChIKeyZZQAGMZPDMKBQK-UHFFFAOYSA-N
XLogP3.83
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55860499
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659
3-methylbutyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 37134520
N-(4-bromophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 29371074
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
CID 71607189
[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chloro-2-phenylacetate
CID 21213578
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
N-(4-phenylmethoxyphenyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 71904794

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine?
The IUPAC name of 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine (CID 1194613) is 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine?
The canonical SMILES for 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine is O=S1(=O)N=C(Nc2ccc(OCc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine?
The InChIKey is ZZQAGMZPDMKBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-26(24)19-9-5-4-8-18(19)20(22-26)21-16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,22).
What are the key properties of 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine?
1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine has a molecular weight of 364.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(4-phenylmethoxyphenyl)-1,2-benzothiazol-3-amine is sourced from PubChem (CID 1194613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).