4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole

C32H44N2S4 — CID 101449342

IUPAC4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
SMILESCCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1
InChIInChI=1S/C32H44N2S4/c1-3-5-7-9-11-13-15-19-25-29(27-21-17-23-35-27)37-31(33-25)32-34-26(20-16-14-12-10-8-6-4-2)30(38-32)28-22-18-24-36-28/h17-18,21-24H,3-16,19-20H2,1-2H3
InChIKeyWLGXDUQZJKRCIB-UHFFFAOYSA-N
MW584.99 g/mol
LogP12.31
Rot. Bonds19

About 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole

4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole (PubChem CID 101449342) has the molecular formula C32H44N2S4 and a molecular weight of 584.99 g/mol. Its IUPAC name is 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
PubChem CID101449342
Molecular FormulaC32H44N2S4
Molecular Weight584.99 g/mol
Exact Mass584.24
IUPAC Name4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
SMILESCCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1
InChIInChI=1S/C32H44N2S4/c1-3-5-7-9-11-13-15-19-25-29(27-21-17-23-35-27)37-31(33-25)32-34-26(20-16-14-12-10-8-6-4-2)30(38-32)28-22-18-24-36-28/h17-18,21-24H,3-16,19-20H2,1-2H3
InChIKeyWLGXDUQZJKRCIB-UHFFFAOYSA-N
XLogP12.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.99
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
CID 59297189
(E)-2-cyano-3-[5-[4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]thiophen-2-yl]prop-2-enoic acid
CID 102525009
5-(5-bromothiophen-2-yl)-2-[5-(5-bromothiophen-2-yl)-4-nonyl-1,3-thiazol-2-yl]-4-nonyl-1,3-thiazole
CID 102054987
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
4-heptyl-2-[2-[5-[4-heptyl-5-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 59297179
3-pentyl-2-thiophen-2-ylthiophene;phenazine
CID 175409994
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
3-octyl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 65428658
2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
CID 54105349
1-methyl-3-octyl-4-thiophen-2-ylpyrazol-5-amine
CID 65428257

Frequently Asked Questions

What is the IUPAC name of 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole (CID 101449342) is 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole is CCCCCCCCCc1nc(-c2nc(CCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1.
What is the InChIKey of 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole?
The InChIKey is WLGXDUQZJKRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2S4/c1-3-5-7-9-11-13-15-19-25-29(27-21-17-23-35-27)37-31(33-25)32-34-26(20-16-14-12-10-8-6-4-2)30(38-32)28-22-18-24-36-28/h17-18,21-24H,3-16,19-20H2,1-2H3.
What are the key properties of 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole?
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole has a molecular weight of 584.99 g/mol, XLogP of 12.31, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 101449342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).