4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C84H68ClN17O12S7 — CID 159197901

About 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 159197901) has the molecular formula C84H68ClN17O12S7 and a molecular weight of 1767.50 g/mol. Its IUPAC name is 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

• Compound Name: 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• PubChem CID: 159197901
• Molecular Formula: C84H68ClN17O12S7
• Molecular Weight: 1767.50 g/mol
• Exact Mass: 1765.30
• IUPAC Name: 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• SMILES: CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C20H20N4O3S2.C17H14N4O2S.2C17H13N3O3S.C13H8ClN3OS2/c25-19(23-20-22-18(14-28-20)17-6-2-3-11-21-17)15-7-9-16(10-8-15)29(26,27)24-12-4-1-5-13-24;1-11(22)19-14-6-4-12(5-7-14)16(23)21-17-20-15(10-24-17)13-3-2-8-18-9-13;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12;14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,23,25);2-10H,1H3,(H,19,22)(H,20,21,23);1-8,10,15H,9H2,(H,19,20,21);1-6,9-10H,7-8H2,(H,19,20,21);1-7H,(H,16,17,18)
• InChIKey: KOXAQIWXNDWJST-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 377.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1767.50
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The IUPAC name of 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 159197901) is 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

What is the SMILES notation for 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The canonical SMILES for 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2.

What is the InChIKey of 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

The InChIKey is KOXAQIWXNDWJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2.C17H14N4O2S.2C17H13N3O3S.C13H8ClN3OS2/c25-19(23-20-22-18(14-28-20)17-6-2-3-11-21-17)15-7-9-16(10-8-15)29(26,27)24-12-4-1-5-13-24;1-11(22)19-14-6-4-12(5-7-14)16(23)21-17-20-15(10-24-17)13-3-2-8-18-9-13;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12;14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,23,25);2-10H,1H3,(H,19,22)(H,20,21,23);1-8,10,15H,9H2,(H,19,20,21);1-6,9-10H,7-8H2,(H,19,20,21);1-7H,(H,16,17,18).

What are the key properties of 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?

4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 1767.50 g/mol, XLogP of 17.43, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;5-chloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide;4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 159197901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).