5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C15H10BrFN2O2S — CID 1287520

IUPAC5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H10BrFN2O2S/c1-21-12-5-2-8(16)6-10(12)14(20)19-15-18-11-4-3-9(17)7-13(11)22-15/h2-7H,1H3,(H,18,19,20)
InChIKeyQKNGIJUACBVAIZ-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.46
Rot. Bonds3

About 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 1287520) has the molecular formula C15H10BrFN2O2S and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID1287520
Molecular FormulaC15H10BrFN2O2S
Molecular Weight381.23 g/mol
Exact Mass379.96
IUPAC Name5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H10BrFN2O2S/c1-21-12-5-2-8(16)6-10(12)14(20)19-15-18-11-4-3-9(17)7-13(11)22-15/h2-7H,1H3,(H,18,19,20)
InChIKeyQKNGIJUACBVAIZ-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
Benzamide, N-2-benzothiazolyl-2-hydroxy-
CID 696305
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2596988
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 17168177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 1287520) is 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is QKNGIJUACBVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2S/c1-21-12-5-2-8(16)6-10(12)14(20)19-15-18-11-4-3-9(17)7-13(11)22-15/h2-7H,1H3,(H,18,19,20).
What are the key properties of 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 381.23 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 1287520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).