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

C25H23N3O3S — CID 30840626

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

N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 30840626) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
• PubChem CID: 30840626
• Molecular Formula: C25H23N3O3S
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.15
• IUPAC Name: N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
• SMILES: COc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)n1
• InChI: InChI=1S/C25H23N3O3S/c1-16-7-10-22(31-2)20(13-16)21-15-32-25(27-21)28-23(29)11-12-26-24(30)19-9-8-17-5-3-4-6-18(17)14-19/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
• InChIKey: BSRKCFZJADITRX-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 30840626) is N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide is COc1ccc(C)cc1-c1csc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)n1.

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

The InChIKey is BSRKCFZJADITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-16-7-10-22(31-2)20(13-16)21-15-32-25(27-21)28-23(29)11-12-26-24(30)19-9-8-17-5-3-4-6-18(17)14-19/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-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide?

N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 30840626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).