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

C38H38N8S8 — CID 59297179

IUPAC4-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
SMILESCCCCCCCc1nc(-c2cnc(-c3ncc(-c4nc(CCCCCCC)c(-c5ncc(-c6nccs6)s5)s4)s3)s2)sc1-c1ncc(-c2nccs2)s1
InChIInChI=1S/C38H38N8S8/c1-3-5-7-9-11-13-23-29(35-41-19-25(49-35)31-39-15-17-47-31)53-33(45-23)27-21-43-37(51-27)38-44-22-28(52-38)34-46-24(14-12-10-8-6-4-2)30(54-34)36-42-20-26(50-36)32-40-16-18-48-32/h15-22H,3-14H2,1-2H3
InChIKeyBCRSNUXINGEFHL-UHFFFAOYSA-N
MW863.31 g/mol
LogP14.03
Rot. Bonds19

About 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

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 (PubChem CID 59297179) has the molecular formula C38H38N8S8 and a molecular weight of 863.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID59297179
Molecular FormulaC38H38N8S8
Molecular Weight863.31 g/mol
Exact Mass862.10
IUPAC Name4-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
SMILESCCCCCCCc1nc(-c2cnc(-c3ncc(-c4nc(CCCCCCC)c(-c5ncc(-c6nccs6)s5)s4)s3)s2)sc1-c1ncc(-c2nccs2)s1
InChIInChI=1S/C38H38N8S8/c1-3-5-7-9-11-13-23-29(35-41-19-25(49-35)31-39-15-17-47-31)53-33(45-23)27-21-43-37(51-27)38-44-22-28(52-38)34-46-24(14-12-10-8-6-4-2)30(54-34)36-42-20-26(50-36)32-40-16-18-48-32/h15-22H,3-14H2,1-2H3
InChIKeyBCRSNUXINGEFHL-UHFFFAOYSA-N
XLogP14.03
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.31
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCc1nc(-c2cnc(-c3ncc(-c4nc(CCCCCCC)c(-c5ncc(-c6nccs6)s5)s4)s3)s2)sc1-c1ncc(-c2nccs2)s1.
What is the InChIKey of 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?
The InChIKey is BCRSNUXINGEFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N8S8/c1-3-5-7-9-11-13-23-29(35-41-19-25(49-35)31-39-15-17-47-31)53-33(45-23)27-21-43-37(51-27)38-44-22-28(52-38)34-46-24(14-12-10-8-6-4-2)30(54-34)36-42-20-26(50-36)32-40-16-18-48-32/h15-22H,3-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 863.31 g/mol, XLogP of 14.03, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59297179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).