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

C15H21Cl2N3OS — CID 120597319

IUPAC2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCCc1cnc(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-3-12-9-17-13(20-12)10-18-14(19)15(2,16)11-7-5-4-6-8-11;;/h4-9H,3,10,16H2,1-2H3,(H,18,19);2*1H
InChIKeyKJYGQDYQEZDDLA-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.04
Rot. Bonds5

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

2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120597319) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120597319
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCCc1cnc(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-3-12-9-17-13(20-12)10-18-14(19)15(2,16)11-7-5-4-6-8-11;;/h4-9H,3,10,16H2,1-2H3,(H,18,19);2*1H
InChIKeyKJYGQDYQEZDDLA-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597348
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703175
3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613405
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380511
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride (CID 120597319) is 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride is CCc1cnc(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is KJYGQDYQEZDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-3-12-9-17-13(20-12)10-18-14(19)15(2,16)11-7-5-4-6-8-11;;/h4-9H,3,10,16H2,1-2H3,(H,18,19);2*1H.
What are the key properties of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).