2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide

C15H19N3O4S — CID 67243297

IUPAC2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide
SMILESCC(C)(C)N1C(=O)C(NCC(N)=O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C15H19N3O4S/c1-15(2,3)18-14(20)12(17-9-11(16)19)13(23(18,21)22)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H2,16,19)
InChIKeyJQHZUEMXVOKBQH-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.40
Rot. Bonds4

About 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide

2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide (PubChem CID 67243297) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide
PubChem CID67243297
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide
SMILESCC(C)(C)N1C(=O)C(NCC(N)=O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C15H19N3O4S/c1-15(2,3)18-14(20)12(17-9-11(16)19)13(23(18,21)22)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H2,16,19)
InChIKeyJQHZUEMXVOKBQH-UHFFFAOYSA-N
XLogP0.40
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-phenylphenyl)sulfanylethylamino]-1,2-thiazol-3-one
CID 68686689
2-tert-butyl-4-(ethylamino)-1,1-dihydroxy-5-phenyl-1,2-thiazol-3-one
CID 173102146
2-tert-butyl-4-[(1-methylpiperidin-4-yl)amino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 67242068
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-1,1-dioxo-5-phenyl-4-[2-[3-(trifluoromethoxy)phenoxy]ethylamino]-1,2-thiazol-3-one
CID 67243696
2-tert-butyl-4-(4-morpholin-4-ylanilino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 11503113
2-tert-butyl-1,1-dioxo-5-phenyl-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]-1,2-thiazol-3-one
CID 67241883
2-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]ethyl 4-methylbenzenesulfonate
CID 87322056
3-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]propyl 4-methylbenzenesulfonate
CID 87321966
2-[4-[3-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]propoxy]phenyl]propanoic acid
CID 67243199
2-[(2-tert-butyl-1,1-dihydroxy-3-oxo-5-phenyl-1,2-thiazol-4-yl)amino]-3-methyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 67242939

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide?
The IUPAC name of 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide (CID 67243297) is 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide?
The canonical SMILES for 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide is CC(C)(C)N1C(=O)C(NCC(N)=O)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide?
The InChIKey is JQHZUEMXVOKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-15(2,3)18-14(20)12(17-9-11(16)19)13(23(18,21)22)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide?
2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide has a molecular weight of 337.40 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-4-yl)amino]acetamide is sourced from PubChem (CID 67243297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).