(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

C22H42N8S4+4 — CID 5077207

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
SMILESCC1CN=C([NH2+]CC[NH+](CC[NH+](CC[NH2+]C2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1
InChIInChI=1S/C22H38N8S4/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)/p+4
InChIKeyKBPVXXHTEMHDGY-UHFFFAOYSA-R
MW546.90 g/mol
LogP-2.15
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

(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 (PubChem CID 5077207) has the molecular formula C22H42N8S4+4 and a molecular weight of 546.90 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.

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
PubChem CID5077207
Molecular FormulaC22H42N8S4+4
Molecular Weight546.90 g/mol
Exact Mass546.24
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
SMILESCC1CN=C([NH2+]CC[NH+](CC[NH+](CC[NH2+]C2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1
InChIInChI=1S/C22H38N8S4/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)/p+4
InChIKeyKBPVXXHTEMHDGY-UHFFFAOYSA-R
XLogP-2.15
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.90
LogP ≤ 5-2.15
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 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?
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 (CID 5077207) 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.
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?
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 is CC1CN=C([NH2+]CC[NH+](CC[NH+](CC[NH2+]C2=NCC(C)S2)C2=NCC(C)S2)C2=NCC(C)S2)S1.
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?
The InChIKey is KBPVXXHTEMHDGY-UHFFFAOYSA-R. The full InChI is InChI=1S/C22H38N8S4/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)/p+4.
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?
(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 has a molecular weight of 546.90 g/mol, XLogP of -2.15, 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 is sourced from PubChem (CID 5077207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).