N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C16H22N4O2S2 — CID 42769939

About N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 42769939) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
• PubChem CID: 42769939
• Molecular Formula: C16H22N4O2S2
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.12
• IUPAC Name: N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
• SMILES: Cc1csc(NC(=O)CN(CCN(C)C)C(=O)Cc2cccs2)n1
• InChI: InChI=1S/C16H22N4O2S2/c1-12-11-24-16(17-12)18-14(21)10-20(7-6-19(2)3)15(22)9-13-5-4-8-23-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21)
• InChIKey: JOWRAMBCRODFRD-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 42769939) is N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is Cc1csc(NC(=O)CN(CCN(C)C)C(=O)Cc2cccs2)n1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The InChIKey is JOWRAMBCRODFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-12-11-24-16(17-12)18-14(21)10-20(7-6-19(2)3)15(22)9-13-5-4-8-23-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18,21).

What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 366.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42769939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).