N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone

C119H122FN19O10S6 — CID 158754663

About N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 158754663) has the molecular formula C119H122FN19O10S6 and a molecular weight of 2189.81 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
• PubChem CID: 158754663
• Molecular Formula: C119H122FN19O10S6
• Molecular Weight: 2189.81 g/mol
• Exact Mass: 2187.79
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
• SMILES: CCN(CCNC(=O)c1oc(-c2ccccc2)nc1C)c1ccccc1.CCc1ccc(-c2nc(C)c(C(=O)N(Cc3ccoc3)C3CCS(=O)(=O)C3)s2)cc1.Cc1nc(-c2ccc(F)cc2)sc1C(=O)CCCN(C)c1ccccc1.Cc1nc(-c2ccccn2)sc1C(=O)NCCCc1cnccn1.Cc1nc(-c2ccccn2)sc1C(=O)NCCCc1ncccn1.O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2ccccc2)CC1
• InChI: InChI=1S/C22H24N2O4S2.C21H21FN2OS.C21H23N3O2.C21H20N2OS.2C17H17N5OS/c1-3-16-4-6-18(7-5-16)21-23-15(2)20(29-21)22(25)24(12-17-8-10-28-13-17)19-9-11-30(26,27)14-19;1-15-20(26-21(23-15)16-10-12-17(22)13-11-16)19(25)9-6-14-24(2)18-7-4-3-5-8-18;1-3-24(18-12-8-5-9-13-18)15-14-22-20(25)19-16(2)23-21(26-19)17-10-6-4-7-11-17;24-21(19-15-22-20(25-19)18-9-5-2-6-10-18)23-13-11-17(12-14-23)16-7-3-1-4-8-16;1-12-15(24-17(22-12)13-6-2-3-8-18-13)16(23)21-9-4-7-14-19-10-5-11-20-14;1-12-15(24-17(22-12)14-6-2-3-7-20-14)16(23)21-8-4-5-13-11-18-9-10-19-13/h4-8,10,13,19H,3,9,11-12,14H2,1-2H3;3-5,7-8,10-13H,6,9,14H2,1-2H3;4-13H,3,14-15H2,1-2H3,(H,22,25);1-10,15,17H,11-14H2;2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,21,23);2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23)
• InChIKey: INXLCWBNWVGEJS-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 366.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.81
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 158754663) is N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone is CCN(CCNC(=O)c1oc(-c2ccccc2)nc1C)c1ccccc1.CCc1ccc(-c2nc(C)c(C(=O)N(Cc3ccoc3)C3CCS(=O)(=O)C3)s2)cc1.Cc1nc(-c2ccc(F)cc2)sc1C(=O)CCCN(C)c1ccccc1.Cc1nc(-c2ccccn2)sc1C(=O)NCCCc1cnccn1.Cc1nc(-c2ccccn2)sc1C(=O)NCCCc1ncccn1.O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2ccccc2)CC1.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?

The InChIKey is INXLCWBNWVGEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2.C21H21FN2OS.C21H23N3O2.C21H20N2OS.2C17H17N5OS/c1-3-16-4-6-18(7-5-16)21-23-15(2)20(29-21)22(25)24(12-17-8-10-28-13-17)19-9-11-30(26,27)14-19;1-15-20(26-21(23-15)16-10-12-17(22)13-11-16)19(25)9-6-14-24(2)18-7-4-3-5-8-18;1-3-24(18-12-8-5-9-13-18)15-14-22-20(25)19-16(2)23-21(26-19)17-10-6-4-7-11-17;24-21(19-15-22-20(25-19)18-9-5-2-6-10-18)23-13-11-17(12-14-23)16-7-3-1-4-8-16;1-12-15(24-17(22-12)13-6-2-3-8-18-13)16(23)21-9-4-7-14-19-10-5-11-20-14;1-12-15(24-17(22-12)14-6-2-3-7-20-14)16(23)21-8-4-5-13-11-18-9-10-19-13/h4-8,10,13,19H,3,9,11-12,14H2,1-2H3;3-5,7-8,10-13H,6,9,14H2,1-2H3;4-13H,3,14-15H2,1-2H3,(H,22,25);1-10,15,17H,11-14H2;2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,21,23);2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23).

What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone?

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 2189.81 g/mol, XLogP of 23.53, 35 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide;N-[2-(N-ethylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-4-(N-methylanilino)butan-1-one;4-methyl-N-(3-pyrazin-2-ylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;4-methyl-2-pyridin-2-yl-N-(3-pyrimidin-2-ylpropyl)-1,3-thiazole-5-carboxamide;(4-phenylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 158754663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).