3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride

C15H21Cl2N3OS — CID 119898098

IUPAC3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)C(CN)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-9-17-15(20-10)11(2)18-14(19)13(8-16)12-6-4-3-5-7-12;;/h3-7,9,11,13H,8,16H2,1-2H3,(H,18,19);2*1H
InChIKeyDWRHQHIPUWEIIV-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.21
Rot. Bonds5

About 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride

3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 119898098) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
PubChem CID119898098
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)C(CN)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-9-17-15(20-10)11(2)18-14(19)13(8-16)12-6-4-3-5-7-12;;/h3-7,9,11,13H,8,16H2,1-2H3,(H,18,19);2*1H
InChIKeyDWRHQHIPUWEIIV-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
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(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
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3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
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(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
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3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
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3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
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3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride (CID 119898098) is 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride is Cc1cnc(C(C)NC(=O)C(CN)c2ccccc2)s1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is DWRHQHIPUWEIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10-9-17-15(20-10)11(2)18-14(19)13(8-16)12-6-4-3-5-7-12;;/h3-7,9,11,13H,8,16H2,1-2H3,(H,18,19);2*1H.
What are the key properties of 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride?
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119898098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).