2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C25H24N4O3S — CID 1076222

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
InChIInChI=1S/C25H24N4O3S/c1-17-4-9-20-22(15-17)33-24(27-20)18-5-7-19(8-6-18)26-23(30)16-28-10-12-29(13-11-28)25(31)21-3-2-14-32-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)
InChIKeyYIXKWRRUVCLCCE-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.26
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 1076222) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID1076222
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
InChIInChI=1S/C25H24N4O3S/c1-17-4-9-20-22(15-17)33-24(27-20)18-5-7-19(8-6-18)26-23(30)16-28-10-12-29(13-11-28)25(31)21-3-2-14-32-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,30)
InChIKeyYIXKWRRUVCLCCE-UHFFFAOYSA-N
XLogP4.26
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 1076222) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is YIXKWRRUVCLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-4-9-20-22(15-17)33-24(27-20)18-5-7-19(8-6-18)26-23(30)16-28-10-12-29(13-11-28)25(31)21-3-2-14-32-21/h2-9,14-15H,10-13,16H2,1H3,(H,26,30).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 1076222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).