4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C17H11F4N3O4S2 — CID 154873159

IUPAC4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C17H11F4N3O4S2/c18-17(19,20)11-3-1-10(2-4-11)16-24-13(9-29-16)6-15(25)23-12-5-14(8-22-7-12)28-30(21,26)27/h1-5,7-9H,6H2,(H,23,25)
InChIKeyGDBJXMOFXCXCGW-UHFFFAOYSA-N
MW461.42 g/mol
LogP4.00
Rot. Bonds6

About 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 154873159) has the molecular formula C17H11F4N3O4S2 and a molecular weight of 461.42 g/mol. Its IUPAC name is 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID154873159
Molecular FormulaC17H11F4N3O4S2
Molecular Weight461.42 g/mol
Exact Mass461.01
IUPAC Name4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C17H11F4N3O4S2/c18-17(19,20)11-3-1-10(2-4-11)16-24-13(9-29-16)6-15(25)23-12-5-14(8-22-7-12)28-30(21,26)27/h1-5,7-9H,6H2,(H,23,25)
InChIKeyGDBJXMOFXCXCGW-UHFFFAOYSA-N
XLogP4.00
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31762041
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-(2-methoxy-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31759330
N-(3-hydroxy-2-pyridinyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 30345603
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
N-(2-iodophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701324
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357
methyl 4-methyl-3-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 34143667

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 154873159) is 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is GDBJXMOFXCXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O4S2/c18-17(19,20)11-3-1-10(2-4-11)16-24-13(9-29-16)6-15(25)23-12-5-14(8-22-7-12)28-30(21,26)27/h1-5,7-9H,6H2,(H,23,25).
What are the key properties of 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 461.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 154873159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).