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

C21H22N4O3S — CID 73443011

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2)cs1
InChIInChI=1S/C21H22N4O3S/c1-15-22-18(14-29-15)16-4-6-17(7-5-16)23-20(26)13-24-8-10-25(11-9-24)21(27)19-3-2-12-28-19/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyYTAREGWATBYIFL-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.11
Rot. Bonds5

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 73443011) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID73443011
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2)cs1
InChIInChI=1S/C21H22N4O3S/c1-15-22-18(14-29-15)16-4-6-17(7-5-16)23-20(26)13-24-8-10-25(11-9-24)21(27)19-3-2-12-28-19/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
InChIKeyYTAREGWATBYIFL-UHFFFAOYSA-N
XLogP3.11
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.11
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-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 73443011) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)cc2)cs1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is YTAREGWATBYIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15-22-18(14-29-15)16-4-6-17(7-5-16)23-20(26)13-24-8-10-25(11-9-24)21(27)19-3-2-12-28-19/h2-7,12,14H,8-11,13H2,1H3,(H,23,26).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.11, 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-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 73443011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).