N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide

C23H33F2N5O4S2Si — CID 165176652

IUPACN-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(C(C)(C)O[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C23H33F2N5O4S2Si/c1-9-36(31,32)30(14-18-27-13-16(35-18)20-28-29-21(33-20)19(24)25)17-11-10-15(12-26-17)23(5,6)34-37(7,8)22(2,3)4/h10-13,19H,9,14H2,1-8H3
InChIKeyGIJKHGUWRQVLGJ-UHFFFAOYSA-N
MW573.76 g/mol
LogP6.14
Rot. Bonds10

About N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide

N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (PubChem CID 165176652) has the molecular formula C23H33F2N5O4S2Si and a molecular weight of 573.76 g/mol. Its IUPAC name is N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
PubChem CID165176652
Molecular FormulaC23H33F2N5O4S2Si
Molecular Weight573.76 g/mol
Exact Mass573.17
IUPAC NameN-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(C(C)(C)O[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C23H33F2N5O4S2Si/c1-9-36(31,32)30(14-18-27-13-16(35-18)20-28-29-21(33-20)19(24)25)17-11-10-15(12-26-17)23(5,6)34-37(7,8)22(2,3)4/h10-13,19H,9,14H2,1-8H3
InChIKeyGIJKHGUWRQVLGJ-UHFFFAOYSA-N
XLogP6.14
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.76
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (CID 165176652) is N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(C(C)(C)O[Si](C)(C)C(C)(C)C)cn1.
What is the InChIKey of N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is GIJKHGUWRQVLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F2N5O4S2Si/c1-9-36(31,32)30(14-18-27-13-16(35-18)20-28-29-21(33-20)19(24)25)17-11-10-15(12-26-17)23(5,6)34-37(7,8)22(2,3)4/h10-13,19H,9,14H2,1-8H3.
What are the key properties of N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 573.76 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 165176652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).