2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C15H13FN4O2S2 — CID 2350751

IUPAC2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccco1
InChIInChI=1S/C15H13FN4O2S2/c16-11-5-1-2-6-12(11)18-14-19-20-15(24-14)23-9-13(21)17-8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21)(H,18,19)
InChIKeyBIOYSHGCYYKKQU-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.42
Rot. Bonds7

About 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2350751) has the molecular formula C15H13FN4O2S2 and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID2350751
Molecular FormulaC15H13FN4O2S2
Molecular Weight364.43 g/mol
Exact Mass364.05
IUPAC Name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccco1
InChIInChI=1S/C15H13FN4O2S2/c16-11-5-1-2-6-12(11)18-14-19-20-15(24-14)23-9-13(21)17-8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21)(H,18,19)
InChIKeyBIOYSHGCYYKKQU-UHFFFAOYSA-N
XLogP3.42
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 2350751) is 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nnc(Nc2ccccc2F)s1)NCc1ccco1.
What is the InChIKey of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is BIOYSHGCYYKKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S2/c16-11-5-1-2-6-12(11)18-14-19-20-15(24-14)23-9-13(21)17-8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21)(H,18,19).
What are the key properties of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2350751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).