N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide

C16H19N3O2S — CID 47721234

IUPACN-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)15-18-9-11(22-15)14(21)19-12(13(17)20)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H2,17,20)(H,19,21)
InChIKeyCBHJSUOPJKNAQF-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.40
Rot. Bonds4

About N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 47721234) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
PubChem CID47721234
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NC(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)15-18-9-11(22-15)14(21)19-12(13(17)20)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H2,17,20)(H,19,21)
InChIKeyCBHJSUOPJKNAQF-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide (CID 47721234) is N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NC(C(N)=O)c2ccccc2)s1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is CBHJSUOPJKNAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-16(2,3)15-18-9-11(22-15)14(21)19-12(13(17)20)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H2,17,20)(H,19,21).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47721234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).