6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole

C24H39N3S — CID 131999050

IUPAC6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CCCCCC(c2nn3cc(C4CCCCCCCCC4)nc3s2)CC1
InChIInChI=1S/C24H39N3S/c1-19-12-8-7-11-15-21(17-16-19)23-26-27-18-22(25-24(27)28-23)20-13-9-5-3-2-4-6-10-14-20/h18-21H,2-17H2,1H3
InChIKeyDRWNNMMYDREWQE-UHFFFAOYSA-N
MW401.66 g/mol
LogP7.86
Rot. Bonds2

About 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole

6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 131999050) has the molecular formula C24H39N3S and a molecular weight of 401.66 g/mol. Its IUPAC name is 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID131999050
Molecular FormulaC24H39N3S
Molecular Weight401.66 g/mol
Exact Mass401.29
IUPAC Name6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1CCCCCC(c2nn3cc(C4CCCCCCCCC4)nc3s2)CC1
InChIInChI=1S/C24H39N3S/c1-19-12-8-7-11-15-21(17-16-19)23-26-27-18-22(25-24(27)28-23)20-13-9-5-3-2-4-6-10-14-20/h18-21H,2-17H2,1H3
InChIKeyDRWNNMMYDREWQE-UHFFFAOYSA-N
XLogP7.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.66
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 131999050) is 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole is CC1CCCCCC(c2nn3cc(C4CCCCCCCCC4)nc3s2)CC1.
What is the InChIKey of 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DRWNNMMYDREWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3S/c1-19-12-8-7-11-15-21(17-16-19)23-26-27-18-22(25-24(27)28-23)20-13-9-5-3-2-4-6-10-14-20/h18-21H,2-17H2,1H3.
What are the key properties of 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 401.66 g/mol, XLogP of 7.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclodecyl-2-(4-methylcyclononyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 131999050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).