N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide

C16H21N3O2S — CID 119527916

IUPACN-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1sc(=O)n(CCC(=O)NCC(N)c2ccccc2)c1C
InChIInChI=1S/C16H21N3O2S/c1-11-12(2)22-16(21)19(11)9-8-15(20)18-10-14(17)13-6-4-3-5-7-13/h3-7,14H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyHHAKGBQVLKWTDM-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.73
Rot. Bonds6

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

N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 119527916) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID119527916
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1sc(=O)n(CCC(=O)NCC(N)c2ccccc2)c1C
InChIInChI=1S/C16H21N3O2S/c1-11-12(2)22-16(21)19(11)9-8-15(20)18-10-14(17)13-6-4-3-5-7-13/h3-7,14H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyHHAKGBQVLKWTDM-UHFFFAOYSA-N
XLogP1.73
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 63120587
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N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-(2-amino-2-phenylethyl)-4-(5-methylthiophen-2-yl)butanamide
CID 119529430
N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119529711
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63120307
(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367546
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 29225382
N-(2-amino-2-phenylethyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 119529652
N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119527702

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 119527916) is N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1sc(=O)n(CCC(=O)NCC(N)c2ccccc2)c1C.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is HHAKGBQVLKWTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-12(2)22-16(21)19(11)9-8-15(20)18-10-14(17)13-6-4-3-5-7-13/h3-7,14H,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 119527916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).