N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C21H21ClN4O3S — CID 55753116

About N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55753116) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• PubChem CID: 55753116
• Molecular Formula: C21H21ClN4O3S
• Molecular Weight: 444.94 g/mol
• Exact Mass: 444.10
• IUPAC Name: N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• SMILES: Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1
• InChI: InChI=1S/C21H21ClN4O3S/c1-14-16(6-11-29-14)20(28)24-21-23-15(13-30-21)12-19(27)26-9-7-25(8-10-26)18-5-3-2-4-17(18)22/h2-6,11,13H,7-10,12H2,1H3,(H,23,24,28)
• InChIKey: VZVKTAUACNAGAC-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.94
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55753116) is N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1.

What is the InChIKey of N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The InChIKey is VZVKTAUACNAGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-14-16(6-11-29-14)20(28)24-21-23-15(13-30-21)12-19(27)26-9-7-25(8-10-26)18-5-3-2-4-17(18)22/h2-6,11,13H,7-10,12H2,1H3,(H,23,24,28).

What are the key properties of N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55753116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).