4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole

C11H14N2O2S2 — CID 75502305

IUPAC4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
SMILESCc1cnc(CS(=O)Cc2nc(C)c(C)o2)s1
InChIInChI=1S/C11H14N2O2S2/c1-7-4-12-11(16-7)6-17(14)5-10-13-8(2)9(3)15-10/h4H,5-6H2,1-3H3
InChIKeyAOZNVFGDKYELQI-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.51
Rot. Bonds4

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

4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole (PubChem CID 75502305) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
PubChem CID75502305
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
SMILESCc1cnc(CS(=O)Cc2nc(C)c(C)o2)s1
InChIInChI=1S/C11H14N2O2S2/c1-7-4-12-11(16-7)6-17(14)5-10-13-8(2)9(3)15-10/h4H,5-6H2,1-3H3
InChIKeyAOZNVFGDKYELQI-UHFFFAOYSA-N
XLogP2.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole (CID 75502305) is 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole is Cc1cnc(CS(=O)Cc2nc(C)c(C)o2)s1.
What is the InChIKey of 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
The InChIKey is AOZNVFGDKYELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-7-4-12-11(16-7)6-17(14)5-10-13-8(2)9(3)15-10/h4H,5-6H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole has a molecular weight of 270.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(5-methyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole is sourced from PubChem (CID 75502305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).