2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C108H103N21O6S8 — CID 158120539

IUPAC2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)s1.Cn1ccc2cc(-c3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)ccc21.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3sccc3c2)n1
InChIInChI=1S/C23H23N5OS.C22H20N4O2S.2C22H20N4OS2.C19H20N4OS2/c1-27-11-8-16-14-17(6-7-20(16)27)23-26-19(15-30-23)22(29)25-18-4-2-3-5-21(18)28-12-9-24-10-13-28;27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20;27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;1-13-6-7-17(26-13)19-22-15(12-25-19)18(24)21-14-4-2-3-5-16(14)23-10-8-20-9-11-23/h2-8,11,14-15,24H,9-10,12-13H2,1H3,(H,25,29);1-7,12-14,23H,8-11H2,(H,24,27);1-8,13-14,23H,9-12H2,(H,24,27);1-7,12-14,23H,8-11H2,(H,24,27);2-7,12,20H,8-11H2,1H3,(H,21,24)
InChIKeyFROAEJOOLRUGDN-UHFFFAOYSA-N
MW2047.69 g/mol
LogP21.40
Rot. Bonds20

About 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 158120539) has the molecular formula C108H103N21O6S8 and a molecular weight of 2047.69 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID158120539
Molecular FormulaC108H103N21O6S8
Molecular Weight2047.69 g/mol
Exact Mass2045.62
IUPAC Name2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)s1.Cn1ccc2cc(-c3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)ccc21.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3sccc3c2)n1
InChIInChI=1S/C23H23N5OS.C22H20N4O2S.2C22H20N4OS2.C19H20N4OS2/c1-27-11-8-16-14-17(6-7-20(16)27)23-26-19(15-30-23)22(29)25-18-4-2-3-5-21(18)28-12-9-24-10-13-28;27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20;27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;1-13-6-7-17(26-13)19-22-15(12-25-19)18(24)21-14-4-2-3-5-16(14)23-10-8-20-9-11-23/h2-8,11,14-15,24H,9-10,12-13H2,1H3,(H,25,29);1-7,12-14,23H,8-11H2,(H,24,27);1-8,13-14,23H,9-12H2,(H,24,27);1-7,12-14,23H,8-11H2,(H,24,27);2-7,12,20H,8-11H2,1H3,(H,21,24)
InChIKeyFROAEJOOLRUGDN-UHFFFAOYSA-N
XLogP21.40
TPSA304.37 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms143
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002047.69
LogP ≤ 521.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 158120539) is 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)s1.Cn1ccc2cc(-c3nc(C(=O)Nc4ccccc4N4CCNCC4)cs3)ccc21.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2cc3ccccc3s2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3occc3c2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc3sccc3c2)n1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FROAEJOOLRUGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS.C22H20N4O2S.2C22H20N4OS2.C19H20N4OS2/c1-27-11-8-16-14-17(6-7-20(16)27)23-26-19(15-30-23)22(29)25-18-4-2-3-5-21(18)28-12-9-24-10-13-28;27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;27-21(24-16-6-2-3-7-18(16)26-11-9-23-10-12-26)17-14-28-22(25-17)20-13-15-5-1-4-8-19(15)29-20;27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20;1-13-6-7-17(26-13)19-22-15(12-25-19)18(24)21-14-4-2-3-5-16(14)23-10-8-20-9-11-23/h2-8,11,14-15,24H,9-10,12-13H2,1H3,(H,25,29);1-7,12-14,23H,8-11H2,(H,24,27);1-8,13-14,23H,9-12H2,(H,24,27);1-7,12-14,23H,8-11H2,(H,24,27);2-7,12,20H,8-11H2,1H3,(H,21,24).
What are the key properties of 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 2047.69 g/mol, XLogP of 21.40, 20 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-benzothiophen-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(1-methylindol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(5-methylthiophen-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158120539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).