2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one

C21H24N2O3S — CID 11703697

IUPAC2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
SMILESCC(C)(C)N1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C21H24N2O3S/c1-21(2,3)23-20(24)18(22-15-14-16-10-6-4-7-11-16)19(27(23,25)26)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3
InChIKeyMGXGRVFKJKLULF-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.16
Rot. Bonds5

About 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one

2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one (PubChem CID 11703697) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
PubChem CID11703697
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
SMILESCC(C)(C)N1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C21H24N2O3S/c1-21(2,3)23-20(24)18(22-15-14-16-10-6-4-7-11-16)19(27(23,25)26)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3
InChIKeyMGXGRVFKJKLULF-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one (CID 11703697) is 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one.
What is the SMILES notation for 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The canonical SMILES for 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one is CC(C)(C)N1C(=O)C(NCCc2ccccc2)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The InChIKey is MGXGRVFKJKLULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-21(2,3)23-20(24)18(22-15-14-16-10-6-4-7-11-16)19(27(23,25)26)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3.
What are the key properties of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one has a molecular weight of 384.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one is sourced from PubChem (CID 11703697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).