N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide

C25H21N3O2S — CID 108754689

About N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide

N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 108754689) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
• PubChem CID: 108754689
• Molecular Formula: C25H21N3O2S
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.14
• IUPAC Name: N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
• SMILES: CN1C(=O)C(C)(C)c2cc(-c3csc(NC(=O)c4cccc5ccccc45)n3)ccc21
• InChI: InChI=1S/C25H21N3O2S/c1-25(2)19-13-16(11-12-21(19)28(3)23(25)30)20-14-31-24(26-20)27-22(29)18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,26,27,29)
• InChIKey: MGGMGYDCHJQDST-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?

The IUPAC name of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide (CID 108754689) is N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?

The canonical SMILES for N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is CN1C(=O)C(C)(C)c2cc(-c3csc(NC(=O)c4cccc5ccccc45)n3)ccc21.

What is the InChIKey of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?

The InChIKey is MGGMGYDCHJQDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-25(2)19-13-16(11-12-21(19)28(3)23(25)30)20-14-31-24(26-20)27-22(29)18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,26,27,29).

What are the key properties of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide?

N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108754689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).