2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole

C23H35NS2 — CID 166923022

IUPAC2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole
SMILESc1c(C2CCCCCCC2)sc2nc(C3CCCCCCCCC3)sc12
InChIInChI=1S/C23H35NS2/c1-2-5-11-15-19(16-12-6-3-1)22-24-23-21(26-22)17-20(25-23)18-13-9-7-4-8-10-14-18/h17-19H,1-16H2
InChIKeyCFAJTDDONNWMRR-UHFFFAOYSA-N
MW389.67 g/mol
LogP8.79
Rot. Bonds2

About 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole

2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole (PubChem CID 166923022) has the molecular formula C23H35NS2 and a molecular weight of 389.67 g/mol. Its IUPAC name is 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole
PubChem CID166923022
Molecular FormulaC23H35NS2
Molecular Weight389.67 g/mol
Exact Mass389.22
IUPAC Name2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole
SMILESc1c(C2CCCCCCC2)sc2nc(C3CCCCCCCCC3)sc12
InChIInChI=1S/C23H35NS2/c1-2-5-11-15-19(16-12-6-3-1)22-24-23-21(26-22)17-20(25-23)18-13-9-7-4-8-10-14-18/h17-19H,1-16H2
InChIKeyCFAJTDDONNWMRR-UHFFFAOYSA-N
XLogP8.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole?
The IUPAC name of 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole (CID 166923022) is 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole?
The canonical SMILES for 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole is c1c(C2CCCCCCC2)sc2nc(C3CCCCCCCCC3)sc12.
What is the InChIKey of 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole?
The InChIKey is CFAJTDDONNWMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NS2/c1-2-5-11-15-19(16-12-6-3-1)22-24-23-21(26-22)17-20(25-23)18-13-9-7-4-8-10-14-18/h17-19H,1-16H2.
What are the key properties of 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole?
2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole has a molecular weight of 389.67 g/mol, XLogP of 8.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclodecyl-5-cyclooctylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 166923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).