4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea

C124H112N36O12S3 — CID 159454996

About 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea

4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea (PubChem CID 159454996) has the molecular formula C124H112N36O12S3 and a molecular weight of 2394.70 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea.

Molecular Properties

• Compound Name: 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
• PubChem CID: 159454996
• Molecular Formula: C124H112N36O12S3
• Molecular Weight: 2394.70 g/mol
• Exact Mass: 2392.84
• IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea
• SMILES: CC(C)NC(=O)Nc1cccc(C(=O)CC2=NN=C(c3ccccn3)C2)c1.CC1CCc2sc(C(=O)NC3=NN=C(c4ccccn4)C3)cc2C1.CCc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1.COC(=O)c1cncc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)oc2ccccc12.Cc1nc(-c2ccccn2)sc1C(=O)NC1=NN=C(c2ccccn2)C1.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1
• InChI: InChI=1S/C20H21N5O2.C18H14N6OS.C18H16N6OS.C18H14N4O2.C18H18N4OS.C17H17N5O2.C15H12N6O3/c1-13(2)22-20(27)23-15-7-5-6-14(10-15)19(26)12-16-11-18(25-24-16)17-8-3-4-9-21-17;1-11-16(26-18(21-11)13-7-3-5-9-20-13)17(25)22-15-10-14(23-24-15)12-6-2-4-8-19-12;25-15(9-5-10-16-20-12-6-1-2-8-14(12)26-16)21-18-22-17(23-24-18)13-7-3-4-11-19-13;1-11-12-6-2-3-8-15(12)24-17(11)18(23)20-16-10-14(21-22-16)13-7-4-5-9-19-13;1-11-5-6-15-12(8-11)9-16(24-15)18(23)20-17-10-14(21-22-17)13-4-2-3-7-19-13;1-2-12-7-3-4-9-14(12)24-11-15(23)19-17-20-16(21-22-17)13-8-5-6-10-18-13;1-24-14(23)10-6-9(7-16-8-10)13(22)19-15-18-12(20-21-15)11-4-2-3-5-17-11/h3-10,13H,11-12H2,1-2H3,(H2,22,23,27);2-9H,10H2,1H3,(H,22,24,25);1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,10H2,1H3,(H,20,22,23);2-4,7,9,11H,5-6,8,10H2,1H3,(H,20,22,23);3-10H,2,11H2,1H3,(H2,19,20,21,22,23);2-8H,1H3,(H2,18,19,20,21,22)
• InChIKey: LTVVSYXQSQBXON-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 646.85 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.70
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?

The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea (CID 159454996) is 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea.

What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?

The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea is CC(C)NC(=O)Nc1cccc(C(=O)CC2=NN=C(c3ccccn3)C2)c1.CC1CCc2sc(C(=O)NC3=NN=C(c4ccccn4)C3)cc2C1.CCc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1.COC(=O)c1cncc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)oc2ccccc12.Cc1nc(-c2ccccn2)sc1C(=O)NC1=NN=C(c2ccccn2)C1.O=C(CCCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1.

What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?

The InChIKey is LTVVSYXQSQBXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C18H14N6OS.C18H16N6OS.C18H14N4O2.C18H18N4OS.C17H17N5O2.C15H12N6O3/c1-13(2)22-20(27)23-15-7-5-6-14(10-15)19(26)12-16-11-18(25-24-16)17-8-3-4-9-21-17;1-11-16(26-18(21-11)13-7-3-5-9-20-13)17(25)22-15-10-14(23-24-15)12-6-2-4-8-19-12;25-15(9-5-10-16-20-12-6-1-2-8-14(12)26-16)21-18-22-17(23-24-18)13-7-3-4-11-19-13;1-11-12-6-2-3-8-15(12)24-17(11)18(23)20-16-10-14(21-22-16)13-7-4-5-9-19-13;1-11-5-6-15-12(8-11)9-16(24-15)18(23)20-17-10-14(21-22-17)13-4-2-3-7-19-13;1-2-12-7-3-4-9-14(12)24-11-15(23)19-17-20-16(21-22-17)13-8-5-6-10-18-13;1-24-14(23)10-6-9(7-16-8-10)13(22)19-15-18-12(20-21-15)11-4-2-3-5-17-11/h3-10,13H,11-12H2,1-2H3,(H2,22,23,27);2-9H,10H2,1H3,(H,22,24,25);1-4,6-8,11H,5,9-10H2,(H2,21,22,23,24,25);2-9H,10H2,1H3,(H,20,22,23);2-4,7,9,11H,5-6,8,10H2,1H3,(H,20,22,23);3-10H,2,11H2,1H3,(H2,19,20,21,22,23);2-8H,1H3,(H2,18,19,20,21,22).

What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea?

4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea has a molecular weight of 2394.70 g/mol, XLogP of 19.74, 29 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)butanamide;2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-benzofuran-2-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide;methyl 5-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]pyridine-3-carboxylate;1-propan-2-yl-3-[3-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenyl]urea is sourced from PubChem (CID 159454996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).