2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide

C17H22N4O3S — CID 42813598

About 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide

2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813598) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42813598
• Molecular Formula: C17H22N4O3S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.14
• IUPAC Name: 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
• SMILES: COc1cccc(Nc2nc(C(=O)NCCC(=O)NC(C)C)cs2)c1
• InChI: InChI=1S/C17H22N4O3S/c1-11(2)19-15(22)7-8-18-16(23)14-10-25-17(21-14)20-12-5-4-6-13(9-12)24-3/h4-6,9-11H,7-8H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)
• InChIKey: KCBBUFNVSFKXJP-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide (CID 42813598) is 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide is COc1cccc(Nc2nc(C(=O)NCCC(=O)NC(C)C)cs2)c1.

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

The InChIKey is KCBBUFNVSFKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11(2)19-15(22)7-8-18-16(23)14-10-25-17(21-14)20-12-5-4-6-13(9-12)24-3/h4-6,9-11H,7-8H2,1-3H3,(H,18,23)(H,19,22)(H,20,21).

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

2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).