N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide

C25H23N3O4S — CID 46589382

About N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 46589382) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
• PubChem CID: 46589382
• Molecular Formula: C25H23N3O4S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.14
• IUPAC Name: N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)n2)c1
• InChI: InChI=1S/C25H23N3O4S/c1-31-19-9-10-22(32-2)20(14-19)21-15-33-25(27-21)28-23(29)11-12-26-24(30)18-8-7-16-5-3-4-6-17(16)13-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
• InChIKey: OQFXNFUXFUVMHF-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 46589382) is N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)n2)c1.

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

The InChIKey is OQFXNFUXFUVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-31-19-9-10-22(32-2)20(14-19)21-15-33-25(27-21)28-23(29)11-12-26-24(30)18-8-7-16-5-3-4-6-17(16)13-18/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29).

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

N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46589382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).