2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride

C15H21Cl2N3OS — CID 119890751

IUPAC2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)C(N)Cc1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-13(15-17-8-9-20-15)18-14(19)12(16)10-11-6-4-3-5-7-11;;/h3-9,12-13H,2,10,16H2,1H3,(H,18,19);2*1H
InChIKeyGKVUWXFUCHTNBU-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.12
Rot. Bonds6

About 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride

2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (PubChem CID 119890751) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
PubChem CID119890751
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
SMILESCCC(NC(=O)C(N)Cc1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-13(15-17-8-9-20-15)18-14(19)12(16)10-11-6-4-3-5-7-11;;/h3-9,12-13H,2,10,16H2,1H3,(H,18,19);2*1H
InChIKeyGKVUWXFUCHTNBU-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-amino-2-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120597101
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
CID 78984626
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119886452
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride (CID 119890751) is 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is CCC(NC(=O)C(N)Cc1ccccc1)c1nccs1.Cl.Cl.
What is the InChIKey of 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
The InChIKey is GKVUWXFUCHTNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-2-13(15-17-8-9-20-15)18-14(19)12(16)10-11-6-4-3-5-7-11;;/h3-9,12-13H,2,10,16H2,1H3,(H,18,19);2*1H.
What are the key properties of 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride?
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119890751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).