N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

C24H21F2N5O3S — CID 167761938

IUPACN-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1nc2c(OC(F)F)cccc2s1)C(=O)N1CCCC(c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C24H21F2N5O3S/c25-23(26)34-17-9-4-10-18-19(17)29-24(35-18)30-21(32)22(33)31-11-5-8-15(13-31)20-27-12-16(28-20)14-6-2-1-3-7-14/h1-4,6-7,9-10,12,15,23H,5,8,11,13H2,(H,27,28)(H,29,30,32)
InChIKeyHBTIWYHFXVIIHD-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.63
Rot. Bonds5

About N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 167761938) has the molecular formula C24H21F2N5O3S and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID167761938
Molecular FormulaC24H21F2N5O3S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC NameN-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1nc2c(OC(F)F)cccc2s1)C(=O)N1CCCC(c2ncc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C24H21F2N5O3S/c25-23(26)34-17-9-4-10-18-19(17)29-24(35-18)30-21(32)22(33)31-11-5-8-15(13-31)20-27-12-16(28-20)14-6-2-1-3-7-14/h1-4,6-7,9-10,12,15,23H,5,8,11,13H2,(H,27,28)(H,29,30,32)
InChIKeyHBTIWYHFXVIIHD-UHFFFAOYSA-N
XLogP4.63
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide (CID 167761938) is N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide is O=C(Nc1nc2c(OC(F)F)cccc2s1)C(=O)N1CCCC(c2ncc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is HBTIWYHFXVIIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3S/c25-23(26)34-17-9-4-10-18-19(17)29-24(35-18)30-21(32)22(33)31-11-5-8-15(13-31)20-27-12-16(28-20)14-6-2-1-3-7-14/h1-4,6-7,9-10,12,15,23H,5,8,11,13H2,(H,27,28)(H,29,30,32).
What are the key properties of N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide?
N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 497.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-oxo-2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 167761938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).