N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C21H27N5O3S2 — CID 55441966

About N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55441966) has the molecular formula C21H27N5O3S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 55441966
• Molecular Formula: C21H27N5O3S2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cs1)c1cccs1
• InChI: InChI=1S/C21H27N5O3S2/c27-18(13-16-15-31-21(22-16)23-20(29)17-5-4-12-30-17)26-10-8-24(9-11-26)14-19(28)25-6-2-1-3-7-25/h4-5,12,15H,1-3,6-11,13-14H2,(H,22,23,29)
• InChIKey: SRGYVTNQKWMLCB-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55441966) is N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cs1)c1cccs1.

What is the InChIKey of N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is SRGYVTNQKWMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S2/c27-18(13-16-15-31-21(22-16)23-20(29)17-5-4-12-30-17)26-10-8-24(9-11-26)14-19(28)25-6-2-1-3-7-25/h4-5,12,15H,1-3,6-11,13-14H2,(H,22,23,29).

What are the key properties of N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55441966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).