N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide

C17H23N3O2S — CID 154844001

IUPACN-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1sc(=O)n(CC(=O)NCCC(N)Cc2ccccc2)c1C
InChIInChI=1S/C17H23N3O2S/c1-12-13(2)23-17(22)20(12)11-16(21)19-9-8-15(18)10-14-6-4-3-5-7-14/h3-7,15H,8-11,18H2,1-2H3,(H,19,21)
InChIKeyJHAWZYJHDDVALI-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.60
Rot. Bonds7

About N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 154844001) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID154844001
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1sc(=O)n(CC(=O)NCCC(N)Cc2ccccc2)c1C
InChIInChI=1S/C17H23N3O2S/c1-12-13(2)23-17(22)20(12)11-16(21)19-9-8-15(18)10-14-6-4-3-5-7-14/h3-7,15H,8-11,18H2,1-2H3,(H,19,21)
InChIKeyJHAWZYJHDDVALI-UHFFFAOYSA-N
XLogP1.60
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 154844001) is N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1sc(=O)n(CC(=O)NCCC(N)Cc2ccccc2)c1C.
What is the InChIKey of N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is JHAWZYJHDDVALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-13(2)23-17(22)20(12)11-16(21)19-9-8-15(18)10-14-6-4-3-5-7-14/h3-7,15H,8-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-phenylbutyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 154844001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).