2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide

C13H10F4N4O2S — CID 55830322

IUPAC2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H10F4N4O2S/c14-8-3-1-2-7(4-8)5-9(22)18-6-10(23)19-12-21-20-11(24-12)13(15,16)17/h1-4H,5-6H2,(H,18,22)(H,19,21,23)
InChIKeyZZRMXEVFFBYIFJ-UHFFFAOYSA-N
MW362.31 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide

2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide (PubChem CID 55830322) has the molecular formula C13H10F4N4O2S and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide
PubChem CID55830322
Molecular FormulaC13H10F4N4O2S
Molecular Weight362.31 g/mol
Exact Mass362.05
IUPAC Name2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H10F4N4O2S/c14-8-3-1-2-7(4-8)5-9(22)18-6-10(23)19-12-21-20-11(24-12)13(15,16)17/h1-4H,5-6H2,(H,18,22)(H,19,21,23)
InChIKeyZZRMXEVFFBYIFJ-UHFFFAOYSA-N
XLogP1.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-N-[2-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 55851828
ethyl 2-[[5-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55827803
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38782502
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000083
2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 697557
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3499630
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide (CID 55830322) is 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide is O=C(Cc1cccc(F)c1)NCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide?
The InChIKey is ZZRMXEVFFBYIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O2S/c14-8-3-1-2-7(4-8)5-9(22)18-6-10(23)19-12-21-20-11(24-12)13(15,16)17/h1-4H,5-6H2,(H,18,22)(H,19,21,23).
What are the key properties of 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide has a molecular weight of 362.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 55830322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).