4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole

C15H19NO3S2 — CID 97008473

IUPAC4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole
SMILESCc1csc(-c2cccc(OC[C@@H](C)CS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H19NO3S2/c1-11(10-21(3,17)18)8-19-14-6-4-5-13(7-14)15-16-12(2)9-20-15/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1
InChIKeyDWJZZSGRIWOQIA-LLVKDONJSA-N
MW325.46 g/mol
LogP3.18
Rot. Bonds6

About 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole

4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole (PubChem CID 97008473) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole
PubChem CID97008473
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole
SMILESCc1csc(-c2cccc(OC[C@@H](C)CS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H19NO3S2/c1-11(10-21(3,17)18)8-19-14-6-4-5-13(7-14)15-16-12(2)9-20-15/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1
InChIKeyDWJZZSGRIWOQIA-LLVKDONJSA-N
XLogP3.18
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole (CID 97008473) is 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole is Cc1csc(-c2cccc(OC[C@@H](C)CS(C)(=O)=O)c2)n1.
What is the InChIKey of 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole?
The InChIKey is DWJZZSGRIWOQIA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-11(10-21(3,17)18)8-19-14-6-4-5-13(7-14)15-16-12(2)9-20-15/h4-7,9,11H,8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole?
4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole has a molecular weight of 325.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 97008473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).