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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1875372
CID 1875372
CID 2975130
CID 2975130
CID 3156713
CID 3156713
CID 3640249
CID 3640249
CID 9797912
CID 9797912
CID 11830974
CID 11830974
CID 3080062
CID 3080062
CID 2228569
CID 2228569
CID 2976505
CID 2976505
CID 44351859
CID 44351859
CID 2955739
CID 2955739
CID 122201579
CID 122201579

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).