5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide

C19H22N4O5S — CID 45369804

About 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide

5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide (PubChem CID 45369804) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
• PubChem CID: 45369804
• Molecular Formula: C19H22N4O5S
• Molecular Weight: 418.48 g/mol
• Exact Mass: 418.13
• IUPAC Name: 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
• SMILES: COc1cc2cc(C(=O)NC(C)C(=O)Nc3nccs3)n(C)c2c(OC)c1OC
• InChI: InChI=1S/C19H22N4O5S/c1-10(17(24)22-19-20-6-7-29-19)21-18(25)12-8-11-9-13(26-3)15(27-4)16(28-5)14(11)23(12)2/h6-10H,1-5H3,(H,21,25)(H,20,22,24)
• InChIKey: MAQANKNTAHMUFM-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 103.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.48
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?

The IUPAC name of 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide (CID 45369804) is 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide.

What is the SMILES notation for 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?

The canonical SMILES for 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide is COc1cc2cc(C(=O)NC(C)C(=O)Nc3nccs3)n(C)c2c(OC)c1OC.

What is the InChIKey of 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?

The InChIKey is MAQANKNTAHMUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-10(17(24)22-19-20-6-7-29-19)21-18(25)12-8-11-9-13(26-3)15(27-4)16(28-5)14(11)23(12)2/h6-10H,1-5H3,(H,21,25)(H,20,22,24).

What are the key properties of 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?

5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 45369804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).