5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole

C16H25N5O2S2 — CID 53151797

IUPAC5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c(C)nc2s1
InChIInChI=1S/C16H25N5O2S2/c1-12-15(21-16(17-12)24-13(2)18-21)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3
InChIKeyFVUPWBWZBAJIBU-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.05
Rot. Bonds3

About 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole

5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 53151797) has the molecular formula C16H25N5O2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID53151797
Molecular FormulaC16H25N5O2S2
Molecular Weight383.54 g/mol
Exact Mass383.14
IUPAC Name5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c(C)nc2s1
InChIInChI=1S/C16H25N5O2S2/c1-12-15(21-16(17-12)24-13(2)18-21)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3
InChIKeyFVUPWBWZBAJIBU-UHFFFAOYSA-N
XLogP2.05
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole (CID 53151797) is 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c(C)nc2s1.
What is the InChIKey of 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FVUPWBWZBAJIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S2/c1-12-15(21-16(17-12)24-13(2)18-21)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3.
What are the key properties of 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 383.54 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 53151797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).