N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide

C21H27N3O3S2 — CID 4122784

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide (PubChem CID 4122784) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
• PubChem CID: 4122784
• Molecular Formula: C21H27N3O3S2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
• SMILES: COc1ccc(-c2nc(NC(=O)CSCC(=O)N3CCC(C)CC3)sc2C)cc1
• InChI: InChI=1S/C21H27N3O3S2/c1-14-8-10-24(11-9-14)19(26)13-28-12-18(25)22-21-23-20(15(2)29-21)16-4-6-17(27-3)7-5-16/h4-7,14H,8-13H2,1-3H3,(H,22,23,25)
• InChIKey: GHKCSKHFWFQVHZ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?

The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide (CID 4122784) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide.

What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?

The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide is COc1ccc(-c2nc(NC(=O)CSCC(=O)N3CCC(C)CC3)sc2C)cc1.

What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?

The InChIKey is GHKCSKHFWFQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c1-14-8-10-24(11-9-14)19(26)13-28-12-18(25)22-21-23-20(15(2)29-21)16-4-6-17(27-3)7-5-16/h4-7,14H,8-13H2,1-3H3,(H,22,23,25).

What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide?

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide has a molecular weight of 433.60 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 4122784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).