ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone

C78H87N17O7S5 — CID 157410886

About ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone

ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 157410886) has the molecular formula C78H87N17O7S5 and a molecular weight of 1535.00 g/mol. Its IUPAC name is ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

• Compound Name: ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
• PubChem CID: 157410886
• Molecular Formula: C78H87N17O7S5
• Molecular Weight: 1535.00 g/mol
• Exact Mass: 1533.56
• IUPAC Name: ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
• SMILES: CC(=O)c1nc(-c2ccncc2)sc1CN1CCCC1.CC(=O)c1nc(-c2ccncc2)sc1CN1CCCCC1.CC(=O)c1nc(-c2ccncc2)sc1CN1CCNCC1.CC(=O)c1nc(-c2ccncc2)sc1CN1CCOCC1.CCOC(=O)c1sc(-c2ccncc2)nc1Nc1ccccc1N
• InChI: InChI=1S/C17H16N4O2S.C16H19N3OS.C15H18N4OS.C15H17N3O2S.C15H17N3OS/c1-2-23-17(22)14-15(20-13-6-4-3-5-12(13)18)21-16(24-14)11-7-9-19-10-8-11;1-12(20)15-14(11-19-9-3-2-4-10-19)21-16(18-15)13-5-7-17-8-6-13;1-11(20)14-13(10-19-8-6-17-7-9-19)21-15(18-14)12-2-4-16-5-3-12;1-11(19)14-13(10-18-6-8-20-9-7-18)21-15(17-14)12-2-4-16-5-3-12;1-11(19)14-13(10-18-8-2-3-9-18)20-15(17-14)12-4-6-16-7-5-12/h3-10,20H,2,18H2,1H3;5-8H,2-4,9-11H2,1H3;2-5,17H,6-10H2,1H3;2-5H,6-10H2,1H3;4-7H,2-3,8-10H2,1H3
• InChIKey: BOGVKECILXKXJH-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 295.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.00
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone?

The IUPAC name of ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone (CID 157410886) is ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone.

What is the SMILES notation for ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone?

The canonical SMILES for ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(-c2ccncc2)sc1CN1CCCC1.CC(=O)c1nc(-c2ccncc2)sc1CN1CCCCC1.CC(=O)c1nc(-c2ccncc2)sc1CN1CCNCC1.CC(=O)c1nc(-c2ccncc2)sc1CN1CCOCC1.CCOC(=O)c1sc(-c2ccncc2)nc1Nc1ccccc1N.

What is the InChIKey of ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone?

The InChIKey is BOGVKECILXKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S.C16H19N3OS.C15H18N4OS.C15H17N3O2S.C15H17N3OS/c1-2-23-17(22)14-15(20-13-6-4-3-5-12(13)18)21-16(24-14)11-7-9-19-10-8-11;1-12(20)15-14(11-19-9-3-2-4-10-19)21-16(18-15)13-5-7-17-8-6-13;1-11(20)14-13(10-19-8-6-17-7-9-19)21-15(18-14)12-2-4-16-5-3-12;1-11(19)14-13(10-18-6-8-20-9-7-18)21-15(17-14)12-2-4-16-5-3-12;1-11(19)14-13(10-18-8-2-3-9-18)20-15(17-14)12-4-6-16-7-5-12/h3-10,20H,2,18H2,1H3;5-8H,2-4,9-11H2,1H3;2-5,17H,6-10H2,1H3;2-5H,6-10H2,1H3;4-7H,2-3,8-10H2,1H3.

What are the key properties of ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone?

ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 1535.00 g/mol, XLogP of 14.16, 21 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(2-aminoanilino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;1-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperazin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[5-(piperidin-1-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]ethanone;1-[2-pyridin-4-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 157410886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).