4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole

C15H19NO2S2 — CID 167847775

IUPAC4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCc2cscn2)cc1
InChIInChI=1S/C15H19NO2S2/c1-15(2,3)12-4-6-14(7-5-12)20(17,18)9-8-13-10-19-11-16-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYODQIIRHPVCPBO-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.46
Rot. Bonds4

About 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole

4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole (PubChem CID 167847775) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole
PubChem CID167847775
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCc2cscn2)cc1
InChIInChI=1S/C15H19NO2S2/c1-15(2,3)12-4-6-14(7-5-12)20(17,18)9-8-13-10-19-11-16-13/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYODQIIRHPVCPBO-UHFFFAOYSA-N
XLogP3.46
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 107874695
N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64644839
1-tert-butyl-4-(iodomethylsulfonyl)benzene
CID 89352568
1-(bromomethylsulfonyl)-4-tert-butylbenzene
CID 66789590
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
2-[2-(4-tert-butylphenyl)sulfonylethyl]guanidine
CID 111108985
4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284882
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432
6-(4-tert-butylphenyl)sulfonylhexan-2-ol
CID 106585373
5-(4-tert-butylphenyl)sulfonyl-N-methylpentan-2-amine
CID 64646630

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole?
The IUPAC name of 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole (CID 167847775) is 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole is CC(C)(C)c1ccc(S(=O)(=O)CCc2cscn2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole?
The InChIKey is YODQIIRHPVCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-15(2,3)12-4-6-14(7-5-12)20(17,18)9-8-13-10-19-11-16-13/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole?
4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole has a molecular weight of 309.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)sulfonylethyl]-1,3-thiazole is sourced from PubChem (CID 167847775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).