N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide

C21H17N3O2S — CID 91680458

IUPACN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(N)nc12
InChIInChI=1S/C21H17N3O2S/c1-26-17-11-16(12-18-19(17)24-21(22)27-18)23-20(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,24)(H,23,25)
InChIKeyAURLIUHGWYKTJL-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.81
Rot. Bonds4

About N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide (PubChem CID 91680458) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
PubChem CID91680458
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(N)nc12
InChIInChI=1S/C21H17N3O2S/c1-26-17-11-16(12-18-19(17)24-21(22)27-18)23-20(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,24)(H,23,25)
InChIKeyAURLIUHGWYKTJL-UHFFFAOYSA-N
XLogP4.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 91680626
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168522593
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680806
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
The IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide (CID 91680458) is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
The canonical SMILES for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide is COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
The InChIKey is AURLIUHGWYKTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-17-11-16(12-18-19(17)24-21(22)27-18)23-20(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,24)(H,23,25).
What are the key properties of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide?
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide is sourced from PubChem (CID 91680458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).