[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

C20H29N4O2S+ — CID 8682895

About [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (PubChem CID 8682895) has the molecular formula C20H29N4O2S+ and a molecular weight of 389.55 g/mol. Its IUPAC name is [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
• PubChem CID: 8682895
• Molecular Formula: C20H29N4O2S+
• Molecular Weight: 389.55 g/mol
• Exact Mass: 389.20
• IUPAC Name: [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
• SMILES: CCNC(=O)C[NH+](CC)Cc1csc(N(C(C)=O)c2c(C)cccc2C)n1
• InChI: InChI=1S/C20H28N4O2S/c1-6-21-18(26)12-23(7-2)11-17-13-27-20(22-17)24(16(5)25)19-14(3)9-8-10-15(19)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,26)/p+1
• InChIKey: VJOXQYFETSGXLL-UHFFFAOYSA-O
• XLogP: 1.99
• TPSA: 66.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.55
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?

The IUPAC name of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (CID 8682895) is [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.

What is the SMILES notation for [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?

The canonical SMILES for [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)Cc1csc(N(C(C)=O)c2c(C)cccc2C)n1.

What is the InChIKey of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?

The InChIKey is VJOXQYFETSGXLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N4O2S/c1-6-21-18(26)12-23(7-2)11-17-13-27-20(22-17)24(16(5)25)19-14(3)9-8-10-15(19)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,26)/p+1.

What are the key properties of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?

[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium has a molecular weight of 389.55 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8682895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).