5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C16H13BrN2O3S — CID 1341416

IUPAC5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cc(Br)ccc3OC)sc2c1
InChIInChI=1S/C16H13BrN2O3S/c1-21-10-4-5-12-14(8-10)23-16(18-12)19-15(20)11-7-9(17)3-6-13(11)22-2/h3-8H,1-2H3,(H,18,19,20)
InChIKeyFBFGIKDLRPUKFX-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.33
Rot. Bonds4

About 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1341416) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID1341416
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3cc(Br)ccc3OC)sc2c1
InChIInChI=1S/C16H13BrN2O3S/c1-21-10-4-5-12-14(8-10)23-16(18-12)19-15(20)11-7-9(17)3-6-13(11)22-2/h3-8H,1-2H3,(H,18,19,20)
InChIKeyFBFGIKDLRPUKFX-UHFFFAOYSA-N
XLogP4.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 17341167
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35279656
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxybenzamide
CID 54783487
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 1341416) is 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3cc(Br)ccc3OC)sc2c1.
What is the InChIKey of 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FBFGIKDLRPUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-21-10-4-5-12-14(8-10)23-16(18-12)19-15(20)11-7-9(17)3-6-13(11)22-2/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 393.26 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1341416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).