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

C16H16N2O2S2 — CID 75502302

IUPAC4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
SMILESCc1nc(CS(=O)Cc2ncc(-c3ccccc3)s2)oc1C
InChIInChI=1S/C16H16N2O2S2/c1-11-12(2)20-15(18-11)9-22(19)10-16-17-8-14(21-16)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyLKVIMJZGHPIXOB-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.86
Rot. Bonds5

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

4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole (PubChem CID 75502302) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
PubChem CID75502302
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole
SMILESCc1nc(CS(=O)Cc2ncc(-c3ccccc3)s2)oc1C
InChIInChI=1S/C16H16N2O2S2/c1-11-12(2)20-15(18-11)9-22(19)10-16-17-8-14(21-16)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKeyLKVIMJZGHPIXOB-UHFFFAOYSA-N
XLogP3.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.86
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-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole (CID 75502302) is 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole is Cc1nc(CS(=O)Cc2ncc(-c3ccccc3)s2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
The InChIKey is LKVIMJZGHPIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-11-12(2)20-15(18-11)9-22(19)10-16-17-8-14(21-16)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole?
4,5-dimethyl-2-[(5-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole has a molecular weight of 332.45 g/mol, XLogP of 3.86, 5 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-phenyl-1,3-thiazol-2-yl)methylsulfinylmethyl]-1,3-oxazole is sourced from PubChem (CID 75502302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).