(2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C19H17FN4O2S2 — CID 8674132

About (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8674132) has the molecular formula C19H17FN4O2S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 8674132
• Molecular Formula: C19H17FN4O2S2
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.08
• IUPAC Name: (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1
• InChI: InChI=1S/C19H17FN4O2S2/c1-11(25)13-5-3-7-15(9-13)21-17(26)12(2)27-19-24-23-18(28-19)22-16-8-4-6-14(20)10-16/h3-10,12H,1-2H3,(H,21,26)(H,22,23)/t12-/m1/s1
• InChIKey: GIZBBJTYQIRMGO-GFCCVEGCSA-N
• XLogP: 4.74
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 8674132) is (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1.

What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is GIZBBJTYQIRMGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17FN4O2S2/c1-11(25)13-5-3-7-15(9-13)21-17(26)12(2)27-19-24-23-18(28-19)22-16-8-4-6-14(20)10-16/h3-10,12H,1-2H3,(H,21,26)(H,22,23)/t12-/m1/s1.

What are the key properties of (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?

(2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 416.50 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3-acetylphenyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8674132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).