2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

C19H15FN2O2S — CID 4107580

IUPAC2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3F)sc1CC2
InChIInChI=1S/C19H15FN2O2S/c1-24-12-8-6-11-7-9-16-17(14(11)10-12)21-19(25-16)22-18(23)13-4-2-3-5-15(13)20/h2-6,8,10H,7,9H2,1H3,(H,21,22,23)
InChIKeyBEKCVMYOHPLMTB-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.31
Rot. Bonds3

About 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 4107580) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
PubChem CID4107580
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3F)sc1CC2
InChIInChI=1S/C19H15FN2O2S/c1-24-12-8-6-11-7-9-16-17(14(11)10-12)21-19(25-16)22-18(23)13-4-2-3-5-15(13)20/h2-6,8,10H,7,9H2,1H3,(H,21,22,23)
InChIKeyBEKCVMYOHPLMTB-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (CID 4107580) is 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3F)sc1CC2.
What is the InChIKey of 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is BEKCVMYOHPLMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-24-12-8-6-11-7-9-16-17(14(11)10-12)21-19(25-16)22-18(23)13-4-2-3-5-15(13)20/h2-6,8,10H,7,9H2,1H3,(H,21,22,23).
What are the key properties of 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4107580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).