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

C48H50N4S6 — CID 59297198

IUPAC2-[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
SMILESCCCCCCCCc1cc(-c2ccccc2)sc1-c1cnc(-c2ncc(-c3cnc(-c4ncc(-c5sc(-c6ccccc6)cc5CCCCCCCC)s4)s3)s2)s1
InChIInChI=1S/C48H50N4S6/c1-3-5-7-9-11-15-25-35-27-37(33-21-17-13-18-22-33)53-43(35)41-31-51-47(57-41)45-49-29-39(55-45)40-30-50-46(56-40)48-52-32-42(58-48)44-36(26-16-12-10-8-6-4-2)28-38(54-44)34-23-19-14-20-24-34/h13-14,17-24,27-32H,3-12,15-16,25-26H2,1-2H3
InChIKeyYDZDCTULBVBOAO-UHFFFAOYSA-N
MW875.36 g/mol
LogP17.11
Rot. Bonds21

About 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

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 (PubChem CID 59297198) has the molecular formula C48H50N4S6 and a molecular weight of 875.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID59297198
Molecular FormulaC48H50N4S6
Molecular Weight875.36 g/mol
Exact Mass874.24
IUPAC Name2-[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
SMILESCCCCCCCCc1cc(-c2ccccc2)sc1-c1cnc(-c2ncc(-c3cnc(-c4ncc(-c5sc(-c6ccccc6)cc5CCCCCCCC)s4)s3)s2)s1
InChIInChI=1S/C48H50N4S6/c1-3-5-7-9-11-15-25-35-27-37(33-21-17-13-18-22-33)53-43(35)41-31-51-47(57-41)45-49-29-39(55-45)40-30-50-46(56-40)48-52-32-42(58-48)44-36(26-16-12-10-8-6-4-2)28-38(54-44)34-23-19-14-20-24-34/h13-14,17-24,27-32H,3-12,15-16,25-26H2,1-2H3
InChIKeyYDZDCTULBVBOAO-UHFFFAOYSA-N
XLogP17.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.36
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCc1cc(-c2ccccc2)sc1-c1cnc(-c2ncc(-c3cnc(-c4ncc(-c5sc(-c6ccccc6)cc5CCCCCCCC)s4)s3)s2)s1.
What is the InChIKey of 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?
The InChIKey is YDZDCTULBVBOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50N4S6/c1-3-5-7-9-11-15-25-35-27-37(33-21-17-13-18-22-33)53-43(35)41-31-51-47(57-41)45-49-29-39(55-45)40-30-50-46(56-40)48-52-32-42(58-48)44-36(26-16-12-10-8-6-4-2)28-38(54-44)34-23-19-14-20-24-34/h13-14,17-24,27-32H,3-12,15-16,25-26H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 875.36 g/mol, XLogP of 17.11, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59297198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).