5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C25H20N6O3S — CID 118062334

About 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118062334) has the molecular formula C25H20N6O3S and a molecular weight of 484.54 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
• PubChem CID: 118062334
• Molecular Formula: C25H20N6O3S
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.13
• IUPAC Name: 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
• SMILES: Cc1noc(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)n1
• InChI: InChI=1S/C25H20N6O3S/c1-14-27-20(34-31-14)12-15-6-8-17(9-7-15)23(33)30-24-21(22(26)32)29-25(35-24)28-19-11-10-16-4-2-3-5-18(16)13-19/h2-11,13H,12H2,1H3,(H2,26,32)(H,28,29)(H,30,33)
• InChIKey: QBECQMWVMHVBBS-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 136.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118062334) is 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is Cc1noc(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)n1.

What is the InChIKey of 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

The InChIKey is QBECQMWVMHVBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3S/c1-14-27-20(34-31-14)12-15-6-8-17(9-7-15)23(33)30-24-21(22(26)32)29-25(35-24)28-19-11-10-16-4-2-3-5-18(16)13-19/h2-11,13H,12H2,1H3,(H2,26,32)(H,28,29)(H,30,33).

What are the key properties of 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?

5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118062334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).