[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

C25H19N3O4S — CID 23943968

About [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate (PubChem CID 23943968) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate.

Molecular Properties

• Compound Name: [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
• PubChem CID: 23943968
• Molecular Formula: C25H19N3O4S
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.11
• IUPAC Name: [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate
• SMILES: Cc1csc(NC(=O)C(C)OC(=O)c2cccc3cccc(-c4nc5ccccc5o4)c23)n1
• InChI: InChI=1S/C25H19N3O4S/c1-14-13-33-25(26-14)28-22(29)15(2)31-24(30)18-10-6-8-16-7-5-9-17(21(16)18)23-27-19-11-3-4-12-20(19)32-23/h3-13,15H,1-2H3,(H,26,28,29)
• InChIKey: VNXZBJYMGOCUNG-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 94.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?

The IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate (CID 23943968) is [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate.

What is the SMILES notation for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?

The canonical SMILES for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate is Cc1csc(NC(=O)C(C)OC(=O)c2cccc3cccc(-c4nc5ccccc5o4)c23)n1.

What is the InChIKey of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?

The InChIKey is VNXZBJYMGOCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-14-13-33-25(26-14)28-22(29)15(2)31-24(30)18-10-6-8-16-7-5-9-17(21(16)18)23-27-19-11-3-4-12-20(19)32-23/h3-13,15H,1-2H3,(H,26,28,29).

What are the key properties of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate?

[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate has a molecular weight of 457.51 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 23943968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).