4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

C18H20N2O3S2 — CID 2742536

IUPAC4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(CS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C18H20N2O3S2/c1-12-16(17(20-23-12)13-8-6-5-7-9-13)14-10-24-15(19-14)11-25(21,22)18(2,3)4/h5-10H,11H2,1-4H3
InChIKeyACDSUAATJZDFNK-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.49
Rot. Bonds4

About 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 2742536) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID2742536
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1csc(CS(=O)(=O)C(C)(C)C)n1
InChIInChI=1S/C18H20N2O3S2/c1-12-16(17(20-23-12)13-8-6-5-7-9-13)14-10-24-15(19-14)11-25(21,22)18(2,3)4/h5-10H,11H2,1-4H3
InChIKeyACDSUAATJZDFNK-UHFFFAOYSA-N
XLogP4.49
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (CID 2742536) is 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1csc(CS(=O)(=O)C(C)(C)C)n1.
What is the InChIKey of 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is ACDSUAATJZDFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-12-16(17(20-23-12)13-8-6-5-7-9-13)14-10-24-15(19-14)11-25(21,22)18(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 376.50 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2742536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).