N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

C21H15FN2O2S — CID 59192170

IUPACN-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccc(Oc2cccc(F)c2)c1)c1ccc2ncsc2c1
InChIInChI=1S/C21H15FN2O2S/c22-16-4-2-6-18(11-16)26-17-5-1-3-14(9-17)12-23-21(25)15-7-8-19-20(10-15)27-13-24-19/h1-11,13H,12H2,(H,23,25)
InChIKeyIGOOPFDBWGYMKY-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.16
Rot. Bonds5

About N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 59192170) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID59192170
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC NameN-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccc(Oc2cccc(F)c2)c1)c1ccc2ncsc2c1
InChIInChI=1S/C21H15FN2O2S/c22-16-4-2-6-18(11-16)26-17-5-1-3-14(9-17)12-23-21(25)15-7-8-19-20(10-15)27-13-24-19/h1-11,13H,12H2,(H,23,25)
InChIKeyIGOOPFDBWGYMKY-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60735987
(3-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 18080757
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
N-(2-pyridin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 31398756
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
N-[(4-pentylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 59192291
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 59192156
N-[(3-but-2-ynoxy-2-fluorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 91046438
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90575791
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide (CID 59192170) is N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide is O=C(NCc1cccc(Oc2cccc(F)c2)c1)c1ccc2ncsc2c1.
What is the InChIKey of N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is IGOOPFDBWGYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c22-16-4-2-6-18(11-16)26-17-5-1-3-14(9-17)12-23-21(25)15-7-8-19-20(10-15)27-13-24-19/h1-11,13H,12H2,(H,23,25).
What are the key properties of N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 59192170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).