5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide

C108H100N24O6S7 — CID 158669977

IUPAC5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3[nH]ccc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3nc[nH]c3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3occc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3sccc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3scnc3c2)s1
InChIInChI=1S/C22H21N5OS.C22H20N4O2S.C22H20N4OS2.C21H20N6OS.C21H19N5OS2/c28-22(26-18-14-24-7-6-19(18)27-11-9-23-10-12-27)21-4-3-20(29-21)16-1-2-17-15(13-16)5-8-25-17;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)16-1-2-19-15(13-16)6-12-28-19;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)15-1-2-19-16(13-15)6-12-28-19;28-21(26-17-12-23-6-5-18(17)27-9-7-22-8-10-27)20-4-3-19(29-20)14-1-2-15-16(11-14)25-13-24-15;27-21(25-16-12-23-6-5-17(16)26-9-7-22-8-10-26)20-4-3-18(29-20)14-1-2-19-15(11-14)24-13-28-19/h1-8,13-14,23,25H,9-12H2,(H,26,28);2*1-7,12-14,23H,8-11H2,(H,25,27);1-6,11-13,22H,7-10H2,(H,24,25)(H,26,28);1-6,11-13,22H,7-10H2,(H,25,27)
InChIKeyIDVGBGSNHVXKFR-UHFFFAOYSA-N
MW2054.62 g/mol
LogP20.29
Rot. Bonds20

About 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide

5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 158669977) has the molecular formula C108H100N24O6S7 and a molecular weight of 2054.62 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID158669977
Molecular FormulaC108H100N24O6S7
Molecular Weight2054.62 g/mol
Exact Mass2052.63
IUPAC Name5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3[nH]ccc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3nc[nH]c3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3occc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3sccc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3scnc3c2)s1
InChIInChI=1S/C22H21N5OS.C22H20N4O2S.C22H20N4OS2.C21H20N6OS.C21H19N5OS2/c28-22(26-18-14-24-7-6-19(18)27-11-9-23-10-12-27)21-4-3-20(29-21)16-1-2-17-15(13-16)5-8-25-17;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)16-1-2-19-15(13-16)6-12-28-19;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)15-1-2-19-16(13-15)6-12-28-19;28-21(26-17-12-23-6-5-18(17)27-9-7-22-8-10-27)20-4-3-19(29-20)14-1-2-15-16(11-14)25-13-24-15;27-21(25-16-12-23-6-5-17(16)26-9-7-22-8-10-26)20-4-3-18(29-20)14-1-2-19-15(11-14)24-13-28-19/h1-8,13-14,23,25H,9-12H2,(H,26,28);2*1-7,12-14,23H,8-11H2,(H,25,27);1-6,11-13,22H,7-10H2,(H,24,25)(H,26,28);1-6,11-13,22H,7-10H2,(H,25,27)
InChIKeyIDVGBGSNHVXKFR-UHFFFAOYSA-N
XLogP20.29
TPSA356.80 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.62
LogP ≤ 520.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-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 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide (CID 158669977) is 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3[nH]ccc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3nc[nH]c3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3occc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3sccc3c2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3scnc3c2)s1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is IDVGBGSNHVXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS.C22H20N4O2S.C22H20N4OS2.C21H20N6OS.C21H19N5OS2/c28-22(26-18-14-24-7-6-19(18)27-11-9-23-10-12-27)21-4-3-20(29-21)16-1-2-17-15(13-16)5-8-25-17;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)16-1-2-19-15(13-16)6-12-28-19;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)15-1-2-19-16(13-15)6-12-28-19;28-21(26-17-12-23-6-5-18(17)27-9-7-22-8-10-27)20-4-3-19(29-20)14-1-2-15-16(11-14)25-13-24-15;27-21(25-16-12-23-6-5-17(16)26-9-7-22-8-10-26)20-4-3-18(29-20)14-1-2-19-15(11-14)24-13-28-19/h1-8,13-14,23,25H,9-12H2,(H,26,28);2*1-7,12-14,23H,8-11H2,(H,25,27);1-6,11-13,22H,7-10H2,(H,24,25)(H,26,28);1-6,11-13,22H,7-10H2,(H,25,27).
What are the key properties of 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 2054.62 g/mol, XLogP of 20.29, 20 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 158669977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).