3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C113H95N21O11S6 — CID 157220523

About 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 157220523) has the molecular formula C113H95N21O11S6 and a molecular weight of 2115.54 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 157220523
• Molecular Formula: C113H95N21O11S6
• Molecular Weight: 2115.54 g/mol
• Exact Mass: 2113.58
• IUPAC Name: 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Cc1ccc(O)cc1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccccc1)N(CCO)c1nc(-c2ccncc2)cs1.O=C(Cc1ccccc1O)Nc1nc(-c2ccncc2)cs1.O=C(Nc1nc(-c2ccncc2)cs1)C(Cn1nnc2ccccc21)c1ccccc1.O=C(Nc1nc(-c2ccncc2)cs1)[C@@H](O)Cc1ccccc1
• InChI: InChI=1S/C23H18N6OS.C23H19N3O2S.C18H17N3O2S.C17H15N3O2S.2C16H13N3O2S/c30-22(26-23-25-20(15-31-23)17-10-12-24-13-11-17)18(16-6-2-1-3-7-16)14-29-21-9-5-4-8-19(21)27-28-29;27-22(26-23-25-21(16-29-23)19-10-12-24-13-11-19)14-17-6-8-20(9-7-17)28-15-18-4-2-1-3-5-18;22-11-10-21(17(23)12-14-4-2-1-3-5-14)18-20-16(13-24-18)15-6-8-19-9-7-15;21-15(10-12-4-2-1-3-5-12)16(22)20-17-19-14(11-23-17)13-6-8-18-9-7-13;20-13-3-1-11(2-4-13)9-15(21)19-16-18-14(10-22-16)12-5-7-17-8-6-12;20-14-4-2-1-3-12(14)9-15(21)19-16-18-13(10-22-16)11-5-7-17-8-6-11/h1-13,15,18H,14H2,(H,25,26,30);1-13,16H,14-15H2,(H,25,26,27);1-9,13,22H,10-12H2;1-9,11,15,21H,10H2,(H,19,20,22);2*1-8,10,20H,9H2,(H,18,19,21)/t;;;15-;;/m...0../s1
• InChIKey: ASXYBOCFCNUBLJ-VPPBVXFWSA-N
• XLogP: 21.04
• TPSA: 441.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.54
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 157220523) is 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(O)cc1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccccc1)N(CCO)c1nc(-c2ccncc2)cs1.O=C(Cc1ccccc1O)Nc1nc(-c2ccncc2)cs1.O=C(Nc1nc(-c2ccncc2)cs1)C(Cn1nnc2ccccc21)c1ccccc1.O=C(Nc1nc(-c2ccncc2)cs1)[C@@H](O)Cc1ccccc1.

What is the InChIKey of 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is ASXYBOCFCNUBLJ-VPPBVXFWSA-N. The full InChI is InChI=1S/C23H18N6OS.C23H19N3O2S.C18H17N3O2S.C17H15N3O2S.2C16H13N3O2S/c30-22(26-23-25-20(15-31-23)17-10-12-24-13-11-17)18(16-6-2-1-3-7-16)14-29-21-9-5-4-8-19(21)27-28-29;27-22(26-23-25-21(16-29-23)19-10-12-24-13-11-19)14-17-6-8-20(9-7-17)28-15-18-4-2-1-3-5-18;22-11-10-21(17(23)12-14-4-2-1-3-5-14)18-20-16(13-24-18)15-6-8-19-9-7-15;21-15(10-12-4-2-1-3-5-12)16(22)20-17-19-14(11-23-17)13-6-8-18-9-7-13;20-13-3-1-11(2-4-13)9-15(21)19-16-18-14(10-22-16)12-5-7-17-8-6-12;20-14-4-2-1-3-12(14)9-15(21)19-16-18-13(10-22-16)11-5-7-17-8-6-11/h1-13,15,18H,14H2,(H,25,26,30);1-13,16H,14-15H2,(H,25,26,27);1-9,13,22H,10-12H2;1-9,11,15,21H,10H2,(H,19,20,22);2*1-8,10,20H,9H2,(H,18,19,21)/t;;;15-;;/m...0../s1.

What are the key properties of 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 2115.54 g/mol, XLogP of 21.04, 32 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzotriazol-1-yl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-(2-hydroxyethyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;(2S)-2-hydroxy-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-(4-phenylmethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 157220523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).