4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole

C12H14N2O3S2 — CID 71996900

IUPAC4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCc1ccc(OCc2csc(CS(C)(=O)=O)n2)nc1
InChIInChI=1S/C12H14N2O3S2/c1-9-3-4-11(13-5-9)17-6-10-7-18-12(14-10)8-19(2,15)16/h3-5,7H,6,8H2,1-2H3
InChIKeyUDOOIAQTWOFLLG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.97
Rot. Bonds5

About 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole

4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 71996900) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID71996900
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCc1ccc(OCc2csc(CS(C)(=O)=O)n2)nc1
InChIInChI=1S/C12H14N2O3S2/c1-9-3-4-11(13-5-9)17-6-10-7-18-12(14-10)8-19(2,15)16/h3-5,7H,6,8H2,1-2H3
InChIKeyUDOOIAQTWOFLLG-UHFFFAOYSA-N
XLogP1.97
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole (CID 71996900) is 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole is Cc1ccc(OCc2csc(CS(C)(=O)=O)n2)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is UDOOIAQTWOFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-9-3-4-11(13-5-9)17-6-10-7-18-12(14-10)8-19(2,15)16/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole?
4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 298.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)oxymethyl]-2-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 71996900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).