N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H15F2N3O2S — CID 140881122

IUPACN-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc2sc(N3CC(F)(F)C3)nc2c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H15F2N3O2S/c20-19(21)9-24(10-19)18-23-14-8-13(2-4-16(14)27-18)22-17(25)12-1-3-15-11(7-12)5-6-26-15/h1-4,7-8H,5-6,9-10H2,(H,22,25)
InChIKeyUIUKDHSWRSSDNS-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.94
Rot. Bonds3

About N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 140881122) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID140881122
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC NameN-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc2sc(N3CC(F)(F)C3)nc2c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H15F2N3O2S/c20-19(21)9-24(10-19)18-23-14-8-13(2-4-16(14)27-18)22-17(25)12-1-3-15-11(7-12)5-6-26-15/h1-4,7-8H,5-6,9-10H2,(H,22,25)
InChIKeyUIUKDHSWRSSDNS-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide
CID 140881137
N-[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881142
N-[2-(3,3-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 140881089
N-[2-(3-pyridin-2-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881186
N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114310163
N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39857899
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71893209
N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881174
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 140881122) is N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1ccc2sc(N3CC(F)(F)C3)nc2c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is UIUKDHSWRSSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c20-19(21)9-24(10-19)18-23-14-8-13(2-4-16(14)27-18)22-17(25)12-1-3-15-11(7-12)5-6-26-15/h1-4,7-8H,5-6,9-10H2,(H,22,25).
What are the key properties of N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 140881122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).