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

C93H78Cl10FN23O7S5 — CID 158218238

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

4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol (PubChem CID 158218238) has the molecular formula C93H78Cl10FN23O7S5 and a molecular weight of 2163.66 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol.

Molecular Properties

• Compound Name: 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol
• PubChem CID: 158218238
• Molecular Formula: C93H78Cl10FN23O7S5
• Molecular Weight: 2163.66 g/mol
• Exact Mass: 2157.19
• IUPAC Name: 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol
• SMILES: [C-]#[N+]c1c(N2CCOC(CF)C2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOC(CO)C2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2nc[nH]c2C)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCO[C@H](CO)C2)sc(-c2ncn[nH]2)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/C19H15Cl2FN4OS.C19H17Cl2N5OS.C19H16Cl2N4OS.2C18H15Cl2N5O2S/c1-23-16-15(13-3-2-11(20)8-14(13)21)17(18-24-4-5-25-18)28-19(16)26-6-7-27-12(9-22)10-26;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;1-11-16(24-10-23-11)18-15(13-4-3-12(20)9-14(13)21)17(22-2)19(27-18)25-5-7-26-8-6-25;2*1-21-15-14(12-3-2-10(19)6-13(12)20)16(17-22-9-23-24-17)28-18(15)25-4-5-27-11(7-25)8-26/h2-5,8,12H,6-7,9-10H2,(H,24,25);4-6,9-11H,7-8H2,1-2H3,(H,23,24,25);3-4,9-10H,5-8H2,1H3,(H,23,24);2*2-3,6,9,11,26H,4-5,7-8H2,(H,22,23,24)/t;10-,11+;;11-;/m...0./s1
• InChIKey: GCXSHSUBIHWHQT-RJMLHFLUSA-N
• XLogP: 25.83
• TPSA: 306.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.66
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

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]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol?

The IUPAC name of 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol (CID 158218238) is 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol.

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

The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol is [C-]#[N+]c1c(N2CCOC(CF)C2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOC(CO)C2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(-c2nc[nH]c2C)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCO[C@H](CO)C2)sc(-c2ncn[nH]2)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]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol?

The InChIKey is GCXSHSUBIHWHQT-RJMLHFLUSA-N. The full InChI is InChI=1S/C19H15Cl2FN4OS.C19H17Cl2N5OS.C19H16Cl2N4OS.2C18H15Cl2N5O2S/c1-23-16-15(13-3-2-11(20)8-14(13)21)17(18-24-4-5-25-18)28-19(16)26-6-7-27-12(9-22)10-26;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;1-11-16(24-10-23-11)18-15(13-4-3-12(20)9-14(13)21)17(22-2)19(27-18)25-5-7-26-8-6-25;2*1-21-15-14(12-3-2-10(19)6-13(12)20)16(17-22-9-23-24-17)28-18(15)25-4-5-27-11(7-25)8-26/h2-5,8,12H,6-7,9-10H2,(H,24,25);4-6,9-11H,7-8H2,1-2H3,(H,23,24,25);3-4,9-10H,5-8H2,1H3,(H,23,24);2*2-3,6,9,11,26H,4-5,7-8H2,(H,22,23,24)/t;10-,11+;;11-;/m...0./s1.

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

4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol has a molecular weight of 2163.66 g/mol, XLogP of 25.83, 18 rotatable bonds, 7 hydrogen bond donors, and 25 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]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-4-yl)thiophen-2-yl]morpholine;(3S,5R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-3,5-dimethylmorpholine;[(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol;[4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 158218238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).