2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide

C21H19F2N3O2S — CID 140881137

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1ccc2sc(N3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C21H19F2N3O2S/c22-21(23)6-8-26(9-7-21)20-25-16-12-14(1-4-18(16)29-20)19(27)24-15-2-3-17-13(11-15)5-10-28-17/h1-4,11-12H,5-10H2,(H,24,27)
InChIKeyQNYHCRGAFMLEQQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.72
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide

2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide (PubChem CID 140881137) has the molecular formula C21H19F2N3O2S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide
PubChem CID140881137
Molecular FormulaC21H19F2N3O2S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1ccc2sc(N3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C21H19F2N3O2S/c22-21(23)6-8-26(9-7-21)20-25-16-12-14(1-4-18(16)29-20)19(27)24-15-2-3-17-13(11-15)5-10-28-17/h1-4,11-12H,5-10H2,(H,24,27)
InChIKeyQNYHCRGAFMLEQQ-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,3-difluoroazetidin-1-yl)-1,3-benzothiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881122
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-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-oxazepan-3-yl)-1,3-benzoxazole-5-carboxamide
CID 178171158
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
N-[2-(4,4-difluoropiperidin-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881073
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide
CID 115497334
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
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-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide (CID 140881137) is 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide is O=C(Nc1ccc2c(c1)CCO2)c1ccc2sc(N3CCC(F)(F)CC3)nc2c1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is QNYHCRGAFMLEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S/c22-21(23)6-8-26(9-7-21)20-25-16-12-14(1-4-18(16)29-20)19(27)24-15-2-3-17-13(11-15)5-10-28-17/h1-4,11-12H,5-10H2,(H,24,27).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 140881137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).