N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

C24H28N4O3S — CID 42813227

About N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 42813227) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
• PubChem CID: 42813227
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
• SMILES: CCC(C)NC(=O)C(Cc1ccccc1)NC(=O)c1csc(Nc2ccc(OC)cc2)n1
• InChI: InChI=1S/C24H28N4O3S/c1-4-16(2)25-22(29)20(14-17-8-6-5-7-9-17)27-23(30)21-15-32-24(28-21)26-18-10-12-19(31-3)13-11-18/h5-13,15-16,20H,4,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)
• InChIKey: VGHPADZFGYTTNO-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 42813227) is N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)C(Cc1ccccc1)NC(=O)c1csc(Nc2ccc(OC)cc2)n1.

What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?

The InChIKey is VGHPADZFGYTTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-4-16(2)25-22(29)20(14-17-8-6-5-7-9-17)27-23(30)21-15-32-24(28-21)26-18-10-12-19(31-3)13-11-18/h5-13,15-16,20H,4,14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30).

What are the key properties of N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?

N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).