N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide

C15H18F2N6O4S2 — CID 156525990

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1cnn(CCOC)c1
InChIInChI=1S/C15H18F2N6O4S2/c1-3-29(24,25)23(10-6-19-22(8-10)4-5-26-2)9-12-18-7-11(28-12)14-20-21-15(27-14)13(16)17/h6-8,13H,3-5,9H2,1-2H3
InChIKeyDPEVDBKBZKXVMK-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.33
Rot. Bonds10

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide (PubChem CID 156525990) has the molecular formula C15H18F2N6O4S2 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide
PubChem CID156525990
Molecular FormulaC15H18F2N6O4S2
Molecular Weight448.48 g/mol
Exact Mass448.08
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1cnn(CCOC)c1
InChIInChI=1S/C15H18F2N6O4S2/c1-3-29(24,25)23(10-6-19-22(8-10)4-5-26-2)9-12-18-7-11(28-12)14-20-21-15(27-14)13(16)17/h6-8,13H,3-5,9H2,1-2H3
InChIKeyDPEVDBKBZKXVMK-UHFFFAOYSA-N
XLogP2.33
TPSA116.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide (CID 156525990) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1cnn(CCOC)c1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide?
The InChIKey is DPEVDBKBZKXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O4S2/c1-3-29(24,25)23(10-6-19-22(8-10)4-5-26-2)9-12-18-7-11(28-12)14-20-21-15(27-14)13(16)17/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide has a molecular weight of 448.48 g/mol, XLogP of 2.33, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 156525990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).