6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

C17H25N3S2 — CID 167834050

IUPAC6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1(CSc2nn3cc(C4CCCC4)nc3s2)CCCCC1
InChIInChI=1S/C17H25N3S2/c1-17(9-5-2-6-10-17)12-21-16-19-20-11-14(18-15(20)22-16)13-7-3-4-8-13/h11,13H,2-10,12H2,1H3
InChIKeyFLSCLWPMIFDWCZ-UHFFFAOYSA-N
MW335.54 g/mol
LogP5.51
Rot. Bonds4

About 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 167834050) has the molecular formula C17H25N3S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID167834050
Molecular FormulaC17H25N3S2
Molecular Weight335.54 g/mol
Exact Mass335.15
IUPAC Name6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC1(CSc2nn3cc(C4CCCC4)nc3s2)CCCCC1
InChIInChI=1S/C17H25N3S2/c1-17(9-5-2-6-10-17)12-21-16-19-20-11-14(18-15(20)22-16)13-7-3-4-8-13/h11,13H,2-10,12H2,1H3
InChIKeyFLSCLWPMIFDWCZ-UHFFFAOYSA-N
XLogP5.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 167834050) is 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole is CC1(CSc2nn3cc(C4CCCC4)nc3s2)CCCCC1.
What is the InChIKey of 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FLSCLWPMIFDWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S2/c1-17(9-5-2-6-10-17)12-21-16-19-20-11-14(18-15(20)22-16)13-7-3-4-8-13/h11,13H,2-10,12H2,1H3.
What are the key properties of 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 335.54 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[(1-methylcyclohexyl)methylsulfanyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 167834050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).