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

C15H21Cl2N3OS — CID 119953291

IUPAC3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
SMILESCC(C)(NC(=O)CC(N)c1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-15(2,14-17-8-9-20-14)18-13(19)10-12(16)11-6-4-3-5-7-11;;/h3-9,12H,10,16H2,1-2H3,(H,18,19);2*1H
InChIKeyNCWGOCCNGSIRSE-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.43
Rot. Bonds5

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

3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride (PubChem CID 119953291) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
PubChem CID119953291
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
SMILESCC(C)(NC(=O)CC(N)c1ccccc1)c1nccs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-15(2,14-17-8-9-20-14)18-13(19)10-12(16)11-6-4-3-5-7-11;;/h3-9,12H,10,16H2,1-2H3,(H,18,19);2*1H
InChIKeyNCWGOCCNGSIRSE-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
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3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
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CID 119858712
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
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3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
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3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952059
4-amino-4-phenyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 116552998
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride (CID 119953291) is 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride is CC(C)(NC(=O)CC(N)c1ccccc1)c1nccs1.Cl.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
The InChIKey is NCWGOCCNGSIRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-15(2,14-17-8-9-20-14)18-13(19)10-12(16)11-6-4-3-5-7-11;;/h3-9,12H,10,16H2,1-2H3,(H,18,19);2*1H.
What are the key properties of 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride?
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119953291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).