2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide

C18H16FN5O2S2 — CID 43056657

IUPAC2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(SC(C(N)=O)c3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H16FN5O2S2/c1-10(25)21-13-3-2-4-14(9-13)22-17-23-24-18(28-17)27-15(16(20)26)11-5-7-12(19)8-6-11/h2-9,15H,1H3,(H2,20,26)(H,21,25)(H,22,23)
InChIKeyFZVTVZGMUWGXIR-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.70
Rot. Bonds7

About 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide

2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide (PubChem CID 43056657) has the molecular formula C18H16FN5O2S2 and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide
PubChem CID43056657
Molecular FormulaC18H16FN5O2S2
Molecular Weight417.49 g/mol
Exact Mass417.07
IUPAC Name2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(SC(C(N)=O)c3ccc(F)cc3)s2)c1
InChIInChI=1S/C18H16FN5O2S2/c1-10(25)21-13-3-2-4-14(9-13)22-17-23-24-18(28-17)27-15(16(20)26)11-5-7-12(19)8-6-11/h2-9,15H,1H3,(H2,20,26)(H,21,25)(H,22,23)
InChIKeyFZVTVZGMUWGXIR-UHFFFAOYSA-N
XLogP3.70
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 42144517
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 42890055
(2S)-2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 40810650
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluoro-3-nitrophenyl)propanamide
CID 46575349
(2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8674132
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
(2S)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
CID 8674371
(2S)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
CID 8836076
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752
2,2,2-trifluoroethyl N-[2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]carbamate
CID 56529602
(2S)-N-(2,6-dimethylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8972491

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide (CID 43056657) is 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide is CC(=O)Nc1cccc(Nc2nnc(SC(C(N)=O)c3ccc(F)cc3)s2)c1.
What is the InChIKey of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FZVTVZGMUWGXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S2/c1-10(25)21-13-3-2-4-14(9-13)22-17-23-24-18(28-17)27-15(16(20)26)11-5-7-12(19)8-6-11/h2-9,15H,1H3,(H2,20,26)(H,21,25)(H,22,23).
What are the key properties of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide?
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 417.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 43056657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).