N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C25H25N3O2S — CID 55592535

About N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55592535) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 55592535
• Molecular Formula: C25H25N3O2S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.17
• IUPAC Name: N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: O=C(Nc1nc(CC(=O)N(C2CC2)C2CCCc3ccccc32)cs1)c1ccccc1
• InChI: InChI=1S/C25H25N3O2S/c29-23(15-19-16-31-25(26-19)27-24(30)18-8-2-1-3-9-18)28(20-13-14-20)22-12-6-10-17-7-4-5-11-21(17)22/h1-5,7-9,11,16,20,22H,6,10,12-15H2,(H,26,27,30)
• InChIKey: ZBKUVXBNDOEPCC-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55592535) is N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N(C2CC2)C2CCCc3ccccc32)cs1)c1ccccc1.

What is the InChIKey of N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is ZBKUVXBNDOEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-23(15-19-16-31-25(26-19)27-24(30)18-8-2-1-3-9-18)28(20-13-14-20)22-12-6-10-17-7-4-5-11-21(17)22/h1-5,7-9,11,16,20,22H,6,10,12-15H2,(H,26,27,30).

What are the key properties of N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?

N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55592535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).