N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C22H25N3O3S2 — CID 31444098

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 31444098) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 31444098
• Molecular Formula: C22H25N3O3S2
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.13
• IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
• SMILES: COc1ccc([C@@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCOCC2)cc1
• InChI: InChI=1S/C22H25N3O3S2/c1-15-20(30-22(24-15)19-4-3-13-29-19)21(26)23-14-18(25-9-11-28-12-10-25)16-5-7-17(27-2)8-6-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,26)/t18-/m1/s1
• InChIKey: QLRCCAHHVQTAQG-GOSISDBHSA-N
• XLogP: 3.99
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 31444098) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCOCC2)cc1.

What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is QLRCCAHHVQTAQG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-15-20(30-22(24-15)19-4-3-13-29-19)21(26)23-14-18(25-9-11-28-12-10-25)16-5-7-17(27-2)8-6-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,26)/t18-/m1/s1.

What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31444098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).