1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone

C21H25N7OS — CID 118503874

About 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone

1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone (PubChem CID 118503874) has the molecular formula C21H25N7OS and a molecular weight of 423.55 g/mol. Its IUPAC name is 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
• PubChem CID: 118503874
• Molecular Formula: C21H25N7OS
• Molecular Weight: 423.55 g/mol
• Exact Mass: 423.18
• IUPAC Name: 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
• InChI: InChI=1S/C21H25N7OS/c1-14(29)27-8-10-28(11-9-27)16-12-18-17(22-13-16)6-7-19(23-18)24-21-26-25-20(30-21)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,23,24,26)
• InChIKey: RDZZXZZUSMEGFJ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 87.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.55
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone (CID 118503874) is 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.

What is the InChIKey of 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone?

The InChIKey is RDZZXZZUSMEGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7OS/c1-14(29)27-8-10-28(11-9-27)16-12-18-17(22-13-16)6-7-19(23-18)24-21-26-25-20(30-21)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,23,24,26).

What are the key properties of 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone?

1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 423.55 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118503874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).