2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole

C15H13N3O3S2 — CID 167559020

IUPAC2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cncc(OCc3nccs3)n2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-23(19,20)12-4-2-11(3-5-12)13-8-16-9-14(18-13)21-10-15-17-6-7-22-15/h2-9H,10H2,1H3
InChIKeyKJPPZCPFQNVVSL-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole

2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole (PubChem CID 167559020) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
PubChem CID167559020
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cncc(OCc3nccs3)n2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-23(19,20)12-4-2-11(3-5-12)13-8-16-9-14(18-13)21-10-15-17-6-7-22-15/h2-9H,10H2,1H3
InChIKeyKJPPZCPFQNVVSL-UHFFFAOYSA-N
XLogP2.58
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 167562711
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
CID 167564562
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117
2-(4-methylsulfonylphenyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 163629142
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
2-(pyrazin-2-yloxymethyl)-1,3-thiazole
CID 54339218
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
CID 167617030
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
1,3-thiazol-2-ylmethyl 2-methyl-5-methylsulfonylbenzoate
CID 47073636
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole
CID 164708978

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole?
The IUPAC name of 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole (CID 167559020) is 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole is CS(=O)(=O)c1ccc(-c2cncc(OCc3nccs3)n2)cc1.
What is the InChIKey of 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole?
The InChIKey is KJPPZCPFQNVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-23(19,20)12-4-2-11(3-5-12)13-8-16-9-14(18-13)21-10-15-17-6-7-22-15/h2-9H,10H2,1H3.
What are the key properties of 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole?
2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole has a molecular weight of 347.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 167559020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).