ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide

C17H21F2N5O3S2 — CID 166091668

IUPACethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
SMILESCC.CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(C)F)o2)s1)c1ccc(F)cn1
InChIInChI=1S/C15H15F2N5O3S2.C2H6/c1-3-27(23,24)22(12-5-4-10(17)6-18-12)8-13-19-7-11(26-13)15-21-20-14(25-15)9(2)16;1-2/h4-7,9H,3,8H2,1-2H3;1-2H3
InChIKeyQRPBWBVILIIKCV-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.14
Rot. Bonds7

About ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide

ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide (PubChem CID 166091668) has the molecular formula C17H21F2N5O3S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Nameethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
PubChem CID166091668
Molecular FormulaC17H21F2N5O3S2
Molecular Weight445.52 g/mol
Exact Mass445.11
IUPAC Nameethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide
SMILESCC.CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(C)F)o2)s1)c1ccc(F)cn1
InChIInChI=1S/C15H15F2N5O3S2.C2H6/c1-3-27(23,24)22(12-5-4-10(17)6-18-12)8-13-19-7-11(26-13)15-21-20-14(25-15)9(2)16;1-2/h4-7,9H,3,8H2,1-2H3;1-2H3
InChIKeyQRPBWBVILIIKCV-UHFFFAOYSA-N
XLogP4.14
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The IUPAC name of ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide (CID 166091668) is ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide.
What is the SMILES notation for ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The canonical SMILES for ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide is CC.CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(C)F)o2)s1)c1ccc(F)cn1.
What is the InChIKey of ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
The InChIKey is QRPBWBVILIIKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O3S2.C2H6/c1-3-27(23,24)22(12-5-4-10(17)6-18-12)8-13-19-7-11(26-13)15-21-20-14(25-15)9(2)16;1-2/h4-7,9H,3,8H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide?
ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide has a molecular weight of 445.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 166091668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).