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

C15H11FN2O2S — CID 748071

IUPAC2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3F)sc2c1
InChIInChI=1S/C15H11FN2O2S/c1-20-9-6-7-12-13(8-9)21-15(17-12)18-14(19)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18,19)
InChIKeySQMVHBDARTZKJX-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.70
Rot. Bonds3

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

2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 748071) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID748071
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3F)sc2c1
InChIInChI=1S/C15H11FN2O2S/c1-20-9-6-7-12-13(8-9)21-15(17-12)18-14(19)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18,19)
InChIKeySQMVHBDARTZKJX-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-Benzothiazol-2-yl-3-(4-methoxy-phenyl)-urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-
CID 96209
methyl N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}carbamate
CID 10279624
N-[6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 138393290
US10251893, Cpd 6
CID 46926811
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 748071) is 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccccc3F)sc2c1.
What is the InChIKey of 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SQMVHBDARTZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-20-9-6-7-12-13(8-9)21-15(17-12)18-14(19)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 302.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 748071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).