2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

C15H25N3O2S2 — CID 47035005

IUPAC2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H25N3O2S2/c1-22(19,20)18-9-7-17(8-10-18)11-14-12-21-15(16-14)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3
InChIKeyHEVZLEATKNDGSM-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 47035005) has the molecular formula C15H25N3O2S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID47035005
Molecular FormulaC15H25N3O2S2
Molecular Weight343.52 g/mol
Exact Mass343.14
IUPAC Name2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H25N3O2S2/c1-22(19,20)18-9-7-17(8-10-18)11-14-12-21-15(16-14)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3
InChIKeyHEVZLEATKNDGSM-UHFFFAOYSA-N
XLogP2.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 47035005) is 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CS(=O)(=O)N1CCN(Cc2csc(C3CCCCC3)n2)CC1.
What is the InChIKey of 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is HEVZLEATKNDGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S2/c1-22(19,20)18-9-7-17(8-10-18)11-14-12-21-15(16-14)13-5-3-2-4-6-13/h12-13H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 343.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 47035005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).