2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride

C16H23Cl2N3OS — CID 119886452

IUPAC2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)C(N)Cc2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-3-15-19-14(10-21-15)11(2)18-16(20)13(17)9-12-7-5-4-6-8-12;;/h4-8,10-11,13H,3,9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQKIRTOOKDALWQS-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.30
Rot. Bonds6

About 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119886452) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119886452
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)C(N)Cc2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-3-15-19-14(10-21-15)11(2)18-16(20)13(17)9-12-7-5-4-6-8-12;;/h4-8,10-11,13H,3,9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQKIRTOOKDALWQS-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
CID 120596918
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886464
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride (CID 119886452) is 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride is CCc1nc(C(C)NC(=O)C(N)Cc2ccccc2)cs1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is QKIRTOOKDALWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-3-15-19-14(10-21-15)11(2)18-16(20)13(17)9-12-7-5-4-6-8-12;;/h4-8,10-11,13H,3,9,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119886452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).