2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole

C50H60N2O8S6 — CID 59297203

IUPAC2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole
SMILESCOCCOCCc1cc(C)sc1-c1cc(CCOCCOC)c(-c2cnc(-c3ncc(-c4sc(-c5sc(-c6ccc(C)cc6)cc5CCOCCOC)cc4CCOCCOC)s3)s2)s1
InChIInChI=1S/C50H60N2O8S6/c1-33-7-9-35(10-8-33)40-28-37(12-16-58-24-20-54-4)46(62-40)42-30-39(14-18-60-26-22-56-6)48(64-42)44-32-52-50(66-44)49-51-31-43(65-49)47-38(13-17-59-25-21-55-5)29-41(63-47)45-36(27-34(2)61-45)11-15-57-23-19-53-3/h7-10,27-32H,11-26H2,1-6H3
InChIKeyMRELSTZHYKDOHE-UHFFFAOYSA-N
MW1009.44 g/mol
LogP12.29
Rot. Bonds30

About 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole

2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole (PubChem CID 59297203) has the molecular formula C50H60N2O8S6 and a molecular weight of 1009.44 g/mol. Its IUPAC name is 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole
PubChem CID59297203
Molecular FormulaC50H60N2O8S6
Molecular Weight1009.44 g/mol
Exact Mass1008.27
IUPAC Name2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole
SMILESCOCCOCCc1cc(C)sc1-c1cc(CCOCCOC)c(-c2cnc(-c3ncc(-c4sc(-c5sc(-c6ccc(C)cc6)cc5CCOCCOC)cc4CCOCCOC)s3)s2)s1
InChIInChI=1S/C50H60N2O8S6/c1-33-7-9-35(10-8-33)40-28-37(12-16-58-24-20-54-4)46(62-40)42-30-39(14-18-60-26-22-56-6)48(64-42)44-32-52-50(66-44)49-51-31-43(65-49)47-38(13-17-59-25-21-55-5)29-41(63-47)45-36(27-34(2)61-45)11-15-57-23-19-53-3/h7-10,27-32H,11-26H2,1-6H3
InChIKeyMRELSTZHYKDOHE-UHFFFAOYSA-N
XLogP12.29
TPSA99.62 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.44
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole with MolForge

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Related Compounds

5-(3-Hexyl-5-phenylthiophen-2-yl)-2-[5-(3-hexyl-5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 59297174
5-[4-Hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]-2-[5-[4-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazole
CID 59297175
2-[5-(5-Methyl-3-octylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[5-(4-methylphenyl)-3-octylthiophen-2-yl]-1,3-thiazole
CID 59297176
2-[5-(3-Octyl-5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[2-[5-(3-octyl-5-phenylthiophen-2-yl)-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-1,3-thiazole
CID 59297198

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole (CID 59297203) is 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole is COCCOCCc1cc(C)sc1-c1cc(CCOCCOC)c(-c2cnc(-c3ncc(-c4sc(-c5sc(-c6ccc(C)cc6)cc5CCOCCOC)cc4CCOCCOC)s3)s2)s1.
What is the InChIKey of 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
The InChIKey is MRELSTZHYKDOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60N2O8S6/c1-33-7-9-35(10-8-33)40-28-37(12-16-58-24-20-54-4)46(62-40)42-30-39(14-18-60-26-22-56-6)48(64-42)44-32-52-50(66-44)49-51-31-43(65-49)47-38(13-17-59-25-21-55-5)29-41(63-47)45-36(27-34(2)61-45)11-15-57-23-19-53-3/h7-10,27-32H,11-26H2,1-6H3.
What are the key properties of 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole?
2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole has a molecular weight of 1009.44 g/mol, XLogP of 12.29, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-[3-[2-(2-methoxyethoxy)ethyl]-5-methylthiophen-2-yl]thiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 59297203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).