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

C30H34N2S5 — CID 59297189

IUPAC4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
SMILESCCCCCCc1nc(-c2ccc(-c3sc(-c4cccs4)nc3CCCCCC)s2)sc1-c1cccs1
InChIInChI=1S/C30H34N2S5/c1-3-5-7-9-13-21-27(23-15-11-19-33-23)36-30(32-21)26-18-17-24(35-26)28-22(14-10-8-6-4-2)31-29(37-28)25-16-12-20-34-25/h11-12,15-20H,3-10,13-14H2,1-2H3
InChIKeyIKYPXSGLSITYSK-UHFFFAOYSA-N
MW582.95 g/mol
LogP11.70
Rot. Bonds14

About 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

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 (PubChem CID 59297189) has the molecular formula C30H34N2S5 and a molecular weight of 582.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
PubChem CID59297189
Molecular FormulaC30H34N2S5
Molecular Weight582.95 g/mol
Exact Mass582.13
IUPAC Name4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
SMILESCCCCCCc1nc(-c2ccc(-c3sc(-c4cccs4)nc3CCCCCC)s2)sc1-c1cccs1
InChIInChI=1S/C30H34N2S5/c1-3-5-7-9-13-21-27(23-15-11-19-33-23)36-30(32-21)26-18-17-24(35-26)28-22(14-10-8-6-4-2)31-29(37-28)25-16-12-20-34-25/h11-12,15-20H,3-10,13-14H2,1-2H3
InChIKeyIKYPXSGLSITYSK-UHFFFAOYSA-N
XLogP11.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.95
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342
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
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
(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
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
3,4-dihexyl-2-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 90025368
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
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10700156
5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432787
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCc1nc(-c2ccc(-c3sc(-c4cccs4)nc3CCCCCC)s2)sc1-c1cccs1.
What is the InChIKey of 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?
The InChIKey is IKYPXSGLSITYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2S5/c1-3-5-7-9-13-21-27(23-15-11-19-33-23)36-30(32-21)26-18-17-24(35-26)28-22(14-10-8-6-4-2)31-29(37-28)25-16-12-20-34-25/h11-12,15-20H,3-10,13-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 582.95 g/mol, XLogP of 11.70, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59297189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).