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

C46H60N2S6 — CID 59297175

IUPAC5-[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
SMILESCCCCCCc1ccsc1-c1sc(-c2cnc(-c3ncc(-c4cc(CCCCCC)c(-c5sccc5CCCCCC)s4)s3)s2)cc1CCCCCC
InChIInChI=1S/C46H60N2S6/c1-5-9-13-17-21-33-25-27-49-41(33)43-35(23-19-15-11-7-3)29-37(51-43)39-31-47-45(53-39)46-48-32-40(54-46)38-30-36(24-20-16-12-8-4)44(52-38)42-34(26-28-50-42)22-18-14-10-6-2/h25-32H,5-24H2,1-4H3
InChIKeyIKDWJSGSHYIKAJ-UHFFFAOYSA-N
MW833.40 g/mol
LogP17.67
Rot. Bonds25

About 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

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 (PubChem CID 59297175) has the molecular formula C46H60N2S6 and a molecular weight of 833.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID59297175
Molecular FormulaC46H60N2S6
Molecular Weight833.40 g/mol
Exact Mass832.31
IUPAC Name5-[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
SMILESCCCCCCc1ccsc1-c1sc(-c2cnc(-c3ncc(-c4cc(CCCCCC)c(-c5sccc5CCCCCC)s4)s3)s2)cc1CCCCCC
InChIInChI=1S/C46H60N2S6/c1-5-9-13-17-21-33-25-27-49-41(33)43-35(23-19-15-11-7-3)29-37(51-43)39-31-47-45(53-39)46-48-32-40(54-46)38-30-36(24-20-16-12-8-4)44(52-38)42-34(26-28-50-42)22-18-14-10-6-2/h25-32H,5-24H2,1-4H3
InChIKeyIKDWJSGSHYIKAJ-UHFFFAOYSA-N
XLogP17.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.40
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCc1ccsc1-c1sc(-c2cnc(-c3ncc(-c4cc(CCCCCC)c(-c5sccc5CCCCCC)s4)s3)s2)cc1CCCCCC.
What is the InChIKey of 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?
The InChIKey is IKDWJSGSHYIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60N2S6/c1-5-9-13-17-21-33-25-27-49-41(33)43-35(23-19-15-11-7-3)29-37(51-43)39-31-47-45(53-39)46-48-32-40(54-46)38-30-36(24-20-16-12-8-4)44(52-38)42-34(26-28-50-42)22-18-14-10-6-2/h25-32H,5-24H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 833.40 g/mol, XLogP of 17.67, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59297175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).