2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride

C15H21Cl2N3OS — CID 120597144

IUPAC2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1nc(C)c(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-13(20-11(2)18-10)9-17-14(19)15(3,16)12-7-5-4-6-8-12;;/h4-8H,9,16H2,1-3H3,(H,17,19);2*1H
InChIKeyKFGNZVLETAKDBB-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120597144) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120597144
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1nc(C)c(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-13(20-11(2)18-10)9-17-14(19)15(3,16)12-7-5-4-6-8-12;;/h4-8H,9,16H2,1-3H3,(H,17,19);2*1H
InChIKeyKFGNZVLETAKDBB-UHFFFAOYSA-N
XLogP3.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588017
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122775
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride (CID 120597144) is 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride is Cc1nc(C)c(CNC(=O)C(C)(N)c2ccccc2)s1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is KFGNZVLETAKDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10-13(20-11(2)18-10)9-17-14(19)15(3,16)12-7-5-4-6-8-12;;/h4-8H,9,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).