2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one

C15H22N2O3S — CID 173102146

IUPAC2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one
SMILESCCNC1=C(c2ccccc2)S(O)(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C15H22N2O3S/c1-5-16-12-13(11-9-7-6-8-10-11)21(19,20)17(14(12)18)15(2,3)4/h6-10,16,19-20H,5H2,1-4H3
InChIKeyZCTSDSDFVGCZEP-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.27
Rot. Bonds3

About 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one

2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one (PubChem CID 173102146) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one
PubChem CID173102146
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one
SMILESCCNC1=C(c2ccccc2)S(O)(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C15H22N2O3S/c1-5-16-12-13(11-9-7-6-8-10-11)21(19,20)17(14(12)18)15(2,3)4/h6-10,16,19-20H,5H2,1-4H3
InChIKeyZCTSDSDFVGCZEP-UHFFFAOYSA-N
XLogP3.27
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]ethyl 4-methylbenzenesulfonate
CID 87322056
2-[4-[3-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]propoxy]phenyl]acetic acid
CID 67243671
3-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]propyl 4-methylbenzenesulfonate
CID 87321966
2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide
CID 67243297
2-tert-butyl-1,1-dioxo-5-phenyl-4-[2-(2-phenylphenyl)sulfanylethylamino]-1,2-thiazol-3-one
CID 68686689
2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]ethyl 2-(2,6-dimethylphenyl)acetate
CID 140533445
2-tert-butyl-1,1-dioxo-5-phenyl-4-[2-[3-(trifluoromethoxy)phenoxy]ethylamino]-1,2-thiazol-3-one
CID 67243696
2-tert-butyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 11661889
2-tert-butyl-4-[(1-methylpiperidin-4-yl)amino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 67242068
2-tert-butyl-1,1-dioxo-5-phenyl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]-1,2-thiazol-3-one
CID 67241883
2-butyl-4-(3-hydroxypropylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 130229918
2-tert-butyl-4-(4-morpholin-4-ylanilino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 11503113

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one (CID 173102146) is 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one is CCNC1=C(c2ccccc2)S(O)(O)N(C(C)(C)C)C1=O.
What is the InChIKey of 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one?
The InChIKey is ZCTSDSDFVGCZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-16-12-13(11-9-7-6-8-10-11)21(19,20)17(14(12)18)15(2,3)4/h6-10,16,19-20H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one?
2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one has a molecular weight of 310.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 173102146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).