3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine

C91H76Cl9FN24O7S5 — CID 159584599

About 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine

3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine (PubChem CID 159584599) has the molecular formula C91H76Cl9FN24O7S5 and a molecular weight of 2116.18 g/mol. Its IUPAC name is 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine.

Molecular Properties

• Compound Name: 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine
• PubChem CID: 159584599
• Molecular Formula: C91H76Cl9FN24O7S5
• Molecular Weight: 2116.18 g/mol
• Exact Mass: 2110.21
• IUPAC Name: 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine
• SMILES: [C-]#[N+]c1c(N2CCOC(CCO)C2)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(-c2ncn[nH]2)c1-c1ccc(O)cc1Cl.[C-]#[N+]c1c(N2CCO[C@H](CC)C2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCO[C@H](CF)C2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C20H18Cl2N4O2S.C19H17Cl2N5OS.C18H14Cl2FN5OS.C17H13Cl2N5OS.C17H14ClN5O2S/c1-23-17-16(14-3-2-12(21)10-15(14)22)18(19-24-5-6-25-19)29-20(17)26-7-9-28-13(11-26)4-8-27;1-3-12-9-26(6-7-27-12)19-16(22-2)15(13-5-4-11(20)8-14(13)21)17(28-19)18-23-10-24-25-18;1-22-15-14(12-3-2-10(19)6-13(12)20)16(17-23-9-24-25-17)28-18(15)26-4-5-27-11(7-21)8-26;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;1-19-14-13(11-3-2-10(24)8-12(11)18)15(16-20-9-21-22-16)26-17(14)23-4-6-25-7-5-23/h2-3,5-6,10,13,27H,4,7-9,11H2,(H,24,25);4-5,8,10,12H,3,6-7,9H2,1H3,(H,23,24,25);2-3,6,9,11H,4-5,7-8H2,(H,23,24,25);2-3,8-9H,4-7H2,(H,21,22,23);2-3,8-9,24H,4-7H2,(H,20,21,22)/t;12-;11-;;/m.11../s1
• InChIKey: MJLLEQBEADBLNJ-CGXCVDMJSA-N
• XLogP: 25.00
• TPSA: 319.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2116.18
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	7
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 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

The IUPAC name of 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine (CID 159584599) is 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;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 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

The canonical SMILES for 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine is [C-]#[N+]c1c(N2CCOC(CCO)C2)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(-c2ncn[nH]2)c1-c1ccc(O)cc1Cl.[C-]#[N+]c1c(N2CCO[C@H](CC)C2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCO[C@H](CF)C2)sc(-c2ncn[nH]2)c1-c1ccc(Cl)cc1Cl.

What is the InChIKey of 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine?

The InChIKey is MJLLEQBEADBLNJ-CGXCVDMJSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2S.C19H17Cl2N5OS.C18H14Cl2FN5OS.C17H13Cl2N5OS.C17H14ClN5O2S/c1-23-17-16(14-3-2-12(21)10-15(14)22)18(19-24-5-6-25-19)29-20(17)26-7-9-28-13(11-26)4-8-27;1-3-12-9-26(6-7-27-12)19-16(22-2)15(13-5-4-11(20)8-14(13)21)17(28-19)18-23-10-24-25-18;1-22-15-14(12-3-2-10(19)6-13(12)20)16(17-23-9-24-25-17)28-18(15)26-4-5-27-11(7-21)8-26;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;1-19-14-13(11-3-2-10(24)8-12(11)18)15(16-20-9-21-22-16)26-17(14)23-4-6-25-7-5-23/h2-3,5-6,10,13,27H,4,7-9,11H2,(H,24,25);4-5,8,10,12H,3,6-7,9H2,1H3,(H,23,24,25);2-3,6,9,11H,4-5,7-8H2,(H,23,24,25);2-3,8-9H,4-7H2,(H,21,22,23);2-3,8-9,24H,4-7H2,(H,20,21,22)/t;12-;11-;;/m.11../s1.

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

3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine has a molecular weight of 2116.18 g/mol, XLogP of 25.00, 19 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[4-isocyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenol;2-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-3-isocyanothiophen-2-yl]morpholin-2-yl]ethanol;(2R)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-ethylmorpholine;(2S)-4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(fluoromethyl)morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]morpholine is sourced from PubChem (CID 159584599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).