(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate

C22H50Cl4N8O4S4 — CID 18529698

IUPAC(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate
SMILESCC1CN=C([NH2+]CC[NH+](CC[NH+](CC[NH2+]C2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C22H38N8S4.4ClH.4H2O/c1-15-11-25-19(31-15)23-5-7-29(21-27-13-17(3)33-21)9-10-30(22-28-14-18(4)34-22)8-6-24-20-26-12-16(2)32-20;;;;;;;;/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26);4*1H;4*1H2
InChIKeyCZHNBODZGNDVDK-UHFFFAOYSA-N
MW760.77 g/mol
LogP-17.43
Rot. Bonds9

About (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate

(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate (PubChem CID 18529698) has the molecular formula C22H50Cl4N8O4S4 and a molecular weight of 760.77 g/mol. Its IUPAC name is (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate.

Molecular Properties

Compound Name(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate
PubChem CID18529698
Molecular FormulaC22H50Cl4N8O4S4
Molecular Weight760.77 g/mol
Exact Mass758.16
IUPAC Name(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate
SMILESCC1CN=C([NH2+]CC[NH+](CC[NH+](CC[NH2+]C2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C22H38N8S4.4ClH.4H2O/c1-15-11-25-19(31-15)23-5-7-29(21-27-13-17(3)33-21)9-10-30(22-28-14-18(4)34-22)8-6-24-20-26-12-16(2)32-20;;;;;;;;/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26);4*1H;4*1H2
InChIKeyCZHNBODZGNDVDK-UHFFFAOYSA-N
XLogP-17.43
TPSA217.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500760.77
LogP ≤ 5-17.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate?
The IUPAC name of (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate (CID 18529698) is (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate.
What is the SMILES notation for (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate?
The canonical SMILES for (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate is CC1CN=C([NH2+]CC[NH+](CC[NH+](CC[NH2+]C2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate?
The InChIKey is CZHNBODZGNDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N8S4.4ClH.4H2O/c1-15-11-25-19(31-15)23-5-7-29(21-27-13-17(3)33-21)9-10-30(22-28-14-18(4)34-22)8-6-24-20-26-12-16(2)32-20;;;;;;;;/h15-18H,5-14H2,1-4H3,(H,23,25)(H,24,26);4*1H;4*1H2.
What are the key properties of (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate?
(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate has a molecular weight of 760.77 g/mol, XLogP of -17.43, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)azaniumyl]ethyl]azaniumyl]ethyl]azanium;tetrachloride;tetrahydrate is sourced from PubChem (CID 18529698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).