N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide

C19H24FN5O3S2 — CID 55985178

About N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 55985178) has the molecular formula C19H24FN5O3S2 and a molecular weight of 453.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide
• PubChem CID: 55985178
• Molecular Formula: C19H24FN5O3S2
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.13
• IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide
• SMILES: CC(C)Oc1nnc(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1
• InChI: InChI=1S/C19H24FN5O3S2/c1-13(2)28-18-22-23-19(30-18)29-12-17(27)25-9-7-24(8-10-25)11-16(26)21-15-5-3-14(20)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,21,26)
• InChIKey: YZSGZXKSXKFBSB-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide (CID 55985178) is N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide is CC(C)Oc1nnc(SCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)s1.

What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide?

The InChIKey is YZSGZXKSXKFBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S2/c1-13(2)28-18-22-23-19(30-18)29-12-17(27)25-9-7-24(8-10-25)11-16(26)21-15-5-3-14(20)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,21,26).

What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide?

N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 453.57 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[4-[2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55985178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).