4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide

C16H21N5O2S2 — CID 127902045

About 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide

4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 127902045) has the molecular formula C16H21N5O2S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 127902045
• Molecular Formula: C16H21N5O2S2
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.11
• IUPAC Name: 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide
• SMILES: CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1
• InChI: InChI=1S/C16H21N5O2S2/c1-10-6-9-24-13(10)14-17-15(25-19-14)18-16(23)21-7-4-12(5-8-21)20(3)11(2)22/h6,9,12H,4-5,7-8H2,1-3H3,(H,17,18,19,23)
• InChIKey: IWVLIXJQYOGIHT-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide?

The IUPAC name of 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide (CID 127902045) is 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide is CC(=O)N(C)C1CCN(C(=O)Nc2nc(-c3sccc3C)ns2)CC1.

What is the InChIKey of 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide?

The InChIKey is IWVLIXJQYOGIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S2/c1-10-6-9-24-13(10)14-17-15(25-19-14)18-16(23)21-7-4-12(5-8-21)20(3)11(2)22/h6,9,12H,4-5,7-8H2,1-3H3,(H,17,18,19,23).

What are the key properties of 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide?

4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[acetyl(methyl)amino]-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 127902045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).