chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane

C49H51ClN10O9S2 — CID 158331859

IUPACchloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane
SMILESC1CCOC1.CC1(C)OCC(COc2cccc(C3=Nc4c(cccc4C(=O)Nc4nccs4)C3)c2)O1.O=C(Nc1nccs1)c1cccc2c1N=C(c1cccc(OCC(O)CO)c1)C2.[H]/N=N/N=NCl
InChIInChI=1S/C24H23N3O4S.C21H19N3O4S.C4H8O.ClHN4/c1-24(2)30-14-18(31-24)13-29-17-7-3-5-15(11-17)20-12-16-6-4-8-19(21(16)26-20)22(28)27-23-25-9-10-32-23;25-11-15(26)12-28-16-5-1-3-13(9-16)18-10-14-4-2-6-17(19(14)23-18)20(27)24-21-22-7-8-29-21;1-2-4-5-3-1;1-3-5-4-2/h3-11,18H,12-14H2,1-2H3,(H,25,27,28);1-9,15,25-26H,10-12H2,(H,22,24,27);1-4H2;2H/b;;;4-2+,5-3?
InChIKeyGQCMZVZSNAYQHA-ZFEYGCQXSA-N
MW1023.59 g/mol
LogP9.74
Rot. Bonds14

About chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane

chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane (PubChem CID 158331859) has the molecular formula C49H51ClN10O9S2 and a molecular weight of 1023.59 g/mol. Its IUPAC name is chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane.

Molecular Properties

Compound Namechloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane
PubChem CID158331859
Molecular FormulaC49H51ClN10O9S2
Molecular Weight1023.59 g/mol
Exact Mass1022.30
IUPAC Namechloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane
SMILESC1CCOC1.CC1(C)OCC(COc2cccc(C3=Nc4c(cccc4C(=O)Nc4nccs4)C3)c2)O1.O=C(Nc1nccs1)c1cccc2c1N=C(c1cccc(OCC(O)CO)c1)C2.[H]/N=N/N=NCl
InChIInChI=1S/C24H23N3O4S.C21H19N3O4S.C4H8O.ClHN4/c1-24(2)30-14-18(31-24)13-29-17-7-3-5-15(11-17)20-12-16-6-4-8-19(21(16)26-20)22(28)27-23-25-9-10-32-23;25-11-15(26)12-28-16-5-1-3-13(9-16)18-10-14-4-2-6-17(19(14)23-18)20(27)24-21-22-7-8-29-21;1-2-4-5-3-1;1-3-5-4-2/h3-11,18H,12-14H2,1-2H3,(H,25,27,28);1-9,15,25-26H,10-12H2,(H,22,24,27);1-4H2;2H/b;;;4-2+,5-3?
InChIKeyGQCMZVZSNAYQHA-ZFEYGCQXSA-N
XLogP9.74
TPSA256.24 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.59
LogP ≤ 59.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane?
The IUPAC name of chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane (CID 158331859) is chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane.
What is the SMILES notation for chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane?
The canonical SMILES for chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane is C1CCOC1.CC1(C)OCC(COc2cccc(C3=Nc4c(cccc4C(=O)Nc4nccs4)C3)c2)O1.O=C(Nc1nccs1)c1cccc2c1N=C(c1cccc(OCC(O)CO)c1)C2.[H]/N=N/N=NCl.
What is the InChIKey of chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane?
The InChIKey is GQCMZVZSNAYQHA-ZFEYGCQXSA-N. The full InChI is InChI=1S/C24H23N3O4S.C21H19N3O4S.C4H8O.ClHN4/c1-24(2)30-14-18(31-24)13-29-17-7-3-5-15(11-17)20-12-16-6-4-8-19(21(16)26-20)22(28)27-23-25-9-10-32-23;25-11-15(26)12-28-16-5-1-3-13(9-16)18-10-14-4-2-6-17(19(14)23-18)20(27)24-21-22-7-8-29-21;1-2-4-5-3-1;1-3-5-4-2/h3-11,18H,12-14H2,1-2H3,(H,25,27,28);1-9,15,25-26H,10-12H2,(H,22,24,27);1-4H2;2H/b;;;4-2+,5-3?.
What are the key properties of chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane?
chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane has a molecular weight of 1023.59 g/mol, XLogP of 9.74, 14 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane is sourced from PubChem (CID 158331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).