N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide

C21H16N2O3S — CID 1346004

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1
InChIInChI=1S/C21H16N2O3S/c1-25-15-11-12-17-19(13-15)27-21(22-17)23-20(24)16-9-5-6-10-18(16)26-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24)
InChIKeyMCBCKMJYRJOSAR-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.35
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (PubChem CID 1346004) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
PubChem CID1346004
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1
InChIInChI=1S/C21H16N2O3S/c1-25-15-11-12-17-19(13-15)27-21(22-17)23-20(24)16-9-5-6-10-18(16)26-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24)
InChIKeyMCBCKMJYRJOSAR-UHFFFAOYSA-N
XLogP5.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4113143
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
CID 110701475
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (CID 1346004) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is COc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The InChIKey is MCBCKMJYRJOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-25-15-11-12-17-19(13-15)27-21(22-17)23-20(24)16-9-5-6-10-18(16)26-14-7-3-2-4-8-14/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide has a molecular weight of 376.44 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is sourced from PubChem (CID 1346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).