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

C19H14F2N2O2S — CID 8915211

IUPAC3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H14F2N2O2S/c20-18(21)25-13-6-3-5-12(10-13)17(24)23-19-22-16-14-7-2-1-4-11(14)8-9-15(16)26-19/h1-7,10,18H,8-9H2,(H,22,23,24)
InChIKeyFWSVEFVNCSWOGU-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.76
Rot. Bonds4

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

3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 8915211) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
PubChem CID8915211
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Name3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H14F2N2O2S/c20-18(21)25-13-6-3-5-12(10-13)17(24)23-19-22-16-14-7-2-1-4-11(14)8-9-15(16)26-19/h1-7,10,18H,8-9H2,(H,22,23,24)
InChIKeyFWSVEFVNCSWOGU-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565109
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 848058
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamothioyl)benzamide
CID 2324546
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 8670021
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 74077421
2-amino-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 39177725
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16833532
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 3589805
4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 4994585
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (CID 8915211) is 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is FWSVEFVNCSWOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-18(21)25-13-6-3-5-12(10-13)17(24)23-19-22-16-14-7-2-1-4-11(14)8-9-15(16)26-19/h1-7,10,18H,8-9H2,(H,22,23,24).
What are the key properties of 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 372.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 8915211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).