2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine

C126H123N13O5S12 — CID 158699255

About 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine

2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine (PubChem CID 158699255) has the molecular formula C126H123N13O5S12 and a molecular weight of 2284.26 g/mol. Its IUPAC name is 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine.

Molecular Properties

• Compound Name: 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine
• PubChem CID: 158699255
• Molecular Formula: C126H123N13O5S12
• Molecular Weight: 2284.26 g/mol
• Exact Mass: 2281.64
• IUPAC Name: 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine
• SMILES: CC(=O)COC(=O)c1ccc(-c2ccccc2)s1.CC(=O)c1ccc(-c2ccccc2)s1.CC(C)C(=O)Nc1ncc(-c2ccccc2)s1.CCc1ncc(-c2ccccc2)s1.Cc1[nH]c2ccccc2c1-c1csc(N2CCCCC2)n1.Cc1cc2sccn2c1-c1nc(-c2ccsc2)cs1.[C-]#[N+]c1ccc(-c2ccc(N3CCCCC3)s2)cc1.[C-]#[N+]c1ccc(-c2ccc(N3CCCCC3)s2)s1.c1ccc(-c2ccc(N3CCCCC3)s2)cc1
• InChI: InChI=1S/C17H19N3S.C16H16N2S.C15H17NS.C14H10N2S3.C14H14N2S2.C14H12O3S.C13H14N2OS.C12H10OS.C11H11NS/c1-12-16(13-7-3-4-8-14(13)18-12)15-11-21-17(19-15)20-9-5-2-6-10-20;1-17-14-7-5-13(6-8-14)15-9-10-16(19-15)18-11-3-2-4-12-18;1-3-7-13(8-4-1)14-9-10-15(17-14)16-11-5-2-6-12-16;1-9-6-12-16(3-5-18-12)13(9)14-15-11(8-19-14)10-2-4-17-7-10;1-15-13-7-5-11(17-13)12-6-8-14(18-12)16-9-3-2-4-10-16;1-10(15)9-17-14(16)13-8-7-12(18-13)11-5-3-2-4-6-11;1-9(2)12(16)15-13-14-8-11(17-13)10-6-4-3-5-7-10;1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10;1-2-11-12-8-10(13-11)9-6-4-3-5-7-9/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3;5-10H,2-4,11-12H2;1,3-4,7-10H,2,5-6,11-12H2;2-8H,1H3;5-8H,2-4,9-10H2;2-8H,9H2,1H3;3-9H,1-2H3,(H,14,15,16);2-8H,1H3;3-8H,2H2,1H3
• InChIKey: IHIDUCZQUOBTPW-UHFFFAOYSA-N
• XLogP: 37.69
• TPSA: 182.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2284.26
LogP ≤ 5	37.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine?

The IUPAC name of 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine (CID 158699255) is 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine.

What is the SMILES notation for 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine?

The canonical SMILES for 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine is CC(=O)COC(=O)c1ccc(-c2ccccc2)s1.CC(=O)c1ccc(-c2ccccc2)s1.CC(C)C(=O)Nc1ncc(-c2ccccc2)s1.CCc1ncc(-c2ccccc2)s1.Cc1[nH]c2ccccc2c1-c1csc(N2CCCCC2)n1.Cc1cc2sccn2c1-c1nc(-c2ccsc2)cs1.[C-]#[N+]c1ccc(-c2ccc(N3CCCCC3)s2)cc1.[C-]#[N+]c1ccc(-c2ccc(N3CCCCC3)s2)s1.c1ccc(-c2ccc(N3CCCCC3)s2)cc1.

What is the InChIKey of 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine?

The InChIKey is IHIDUCZQUOBTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S.C16H16N2S.C15H17NS.C14H10N2S3.C14H14N2S2.C14H12O3S.C13H14N2OS.C12H10OS.C11H11NS/c1-12-16(13-7-3-4-8-14(13)18-12)15-11-21-17(19-15)20-9-5-2-6-10-20;1-17-14-7-5-13(6-8-14)15-9-10-16(19-15)18-11-3-2-4-12-18;1-3-7-13(8-4-1)14-9-10-15(17-14)16-11-5-2-6-12-16;1-9-6-12-16(3-5-18-12)13(9)14-15-11(8-19-14)10-2-4-17-7-10;1-15-13-7-5-11(17-13)12-6-8-14(18-12)16-9-3-2-4-10-16;1-10(15)9-17-14(16)13-8-7-12(18-13)11-5-3-2-4-6-11;1-9(2)12(16)15-13-14-8-11(17-13)10-6-4-3-5-7-10;1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10;1-2-11-12-8-10(13-11)9-6-4-3-5-7-9/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3;5-10H,2-4,11-12H2;1,3-4,7-10H,2,5-6,11-12H2;2-8H,1H3;5-8H,2-4,9-10H2;2-8H,9H2,1H3;3-9H,1-2H3,(H,14,15,16);2-8H,1H3;3-8H,2H2,1H3.

What are the key properties of 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine?

2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine has a molecular weight of 2284.26 g/mol, XLogP of 37.69, 21 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-phenyl-1,3-thiazole;1-[5-(4-isocyanophenyl)thiophen-2-yl]piperidine;1-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]piperidine;4-(2-methyl-1H-indol-3-yl)-2-piperidin-1-yl-1,3-thiazole;2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide;6-methyl-5-(4-thiophen-3-yl-1,3-thiazol-2-yl)pyrrolo[2,1-b][1,3]thiazole;2-oxopropyl 5-phenylthiophene-2-carboxylate;1-(5-phenylthiophen-2-yl)ethanone;1-(5-phenylthiophen-2-yl)piperidine is sourced from PubChem (CID 158699255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).