4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine

C90H74Cl10N26O7S5 — CID 160892607

About 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine

4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine (PubChem CID 160892607) has the molecular formula C90H74Cl10N26O7S5 and a molecular weight of 2146.62 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine
• PubChem CID: 160892607
• Molecular Formula: C90H74Cl10N26O7S5
• Molecular Weight: 2146.62 g/mol
• Exact Mass: 2140.17
• IUPAC Name: 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine
• SMILES: [C-]#[N+]c1c(N2CCOC(CCOC(C)=O)C2)sc(-c2nn[nH]n2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2nn[nH]n2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2[C@H](C)COC[C@@H]2C)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C20H18Cl2N6O3S.C19H17Cl2N5OS.C18H14Cl2N4OS.C17H13Cl2N5OS.C16H12Cl2N6OS/c1-11(29)30-7-5-13-10-28(6-8-31-13)20-17(23-2)16(14-4-3-12(21)9-15(14)22)18(32-20)19-24-26-27-25-19;1-10-7-27-8-11(2)26(10)19-16(22-3)15(13-5-4-12(20)6-14(13)21)17(28-19)18-23-9-24-25-18;1-21-15-14(12-3-2-11(19)10-13(12)20)16(17-22-4-5-23-17)26-18(15)24-6-8-25-9-7-24;1-20-14-13(11-3-2-10(18)8-12(11)19)15(16-21-9-22-23-16)26-17(14)24-4-6-25-7-5-24;1-19-13-12(10-3-2-9(17)8-11(10)18)14(15-20-22-23-21-15)26-16(13)24-4-6-25-7-5-24/h3-4,9,13H,5-8,10H2,1H3,(H,24,25,26,27);4-6,9-11H,7-8H2,1-2H3,(H,23,24,25);2-5,10H,6-9H2,(H,22,23);2-3,8-9H,4-7H2,(H,21,22,23);2-3,8H,4-7H2,(H,20,21,22,23)/t;10-,11+
• InChIKey: SOLWGDYUOXLTQX-AQWSJZAYSA-N
• XLogP: 24.97
• TPSA: 331.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.62
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

The IUPAC name of 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine (CID 160892607) is 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine.

What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine is [C-]#[N+]c1c(N2CCOC(CCOC(C)=O)C2)sc(-c2nn[nH]n2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2nn[nH]n2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2[C@H](C)COC[C@@H]2C)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.

What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

The InChIKey is SOLWGDYUOXLTQX-AQWSJZAYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O3S.C19H17Cl2N5OS.C18H14Cl2N4OS.C17H13Cl2N5OS.C16H12Cl2N6OS/c1-11(29)30-7-5-13-10-28(6-8-31-13)20-17(23-2)16(14-4-3-12(21)9-15(14)22)18(32-20)19-24-26-27-25-19;1-10-7-27-8-11(2)26(10)19-16(22-3)15(13-5-4-12(20)6-14(13)21)17(28-19)18-23-9-24-25-18;1-21-15-14(12-3-2-11(19)10-13(12)20)16(17-22-4-5-23-17)26-18(15)24-6-8-25-9-7-24;1-20-14-13(11-3-2-10(18)8-12(11)19)15(16-21-9-22-23-16)26-17(14)24-4-6-25-7-5-24;1-19-13-12(10-3-2-9(17)8-11(10)18)14(15-20-22-23-21-15)26-16(13)24-4-6-25-7-5-24/h3-4,9,13H,5-8,10H2,1H3,(H,24,25,26,27);4-6,9-11H,7-8H2,1-2H3,(H,23,24,25);2-5,10H,6-9H2,(H,22,23);2-3,8-9H,4-7H2,(H,21,22,23);2-3,8H,4-7H2,(H,20,21,22,23)/t;10-,11+;;;.

What are the key properties of 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine has a molecular weight of 2146.62 g/mol, XLogP of 24.97, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholine;2-[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(2H-tetrazol-5-yl)thiophen-2-yl]morpholin-2-yl]ethyl acetate;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine is sourced from PubChem (CID 160892607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).