3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole

C15H20N2O3S2 — CID 47035276

IUPAC3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)no1
InChIInChI=1S/C15H20N2O3S2/c1-11-7-13(17-20-11)9-22(18,19)10-14-8-21-15(16-14)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyVTPXSHZKOSOPAS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.60
Rot. Bonds5

About 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole

3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole (PubChem CID 47035276) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole
PubChem CID47035276
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)no1
InChIInChI=1S/C15H20N2O3S2/c1-11-7-13(17-20-11)9-22(18,19)10-14-8-21-15(16-14)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3
InChIKeyVTPXSHZKOSOPAS-UHFFFAOYSA-N
XLogP3.60
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole (CID 47035276) is 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)no1.
What is the InChIKey of 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is VTPXSHZKOSOPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-11-7-13(17-20-11)9-22(18,19)10-14-8-21-15(16-14)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole?
3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 340.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 47035276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).