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

C15H21Cl2N3OS — CID 119876567

IUPAC2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1ncsc1CN(C)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-11-14(20-10-17-11)9-18(2)15(19)13(16)8-12-6-4-3-5-7-12;;/h3-7,10,13H,8-9,16H2,1-2H3;2*1H
InChIKeyABJZRPLGXQFGOM-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.82
Rot. Bonds5

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

2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119876567) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119876567
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1ncsc1CN(C)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-11-14(20-10-17-11)9-18(2)15(19)13(16)8-12-6-4-3-5-7-12;;/h3-7,10,13H,8-9,16H2,1-2H3;2*1H
InChIKeyABJZRPLGXQFGOM-UHFFFAOYSA-N
XLogP2.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-methyl-2-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
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(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
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(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
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2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
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(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
CID 84588637
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
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(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride (CID 119876567) is 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride is Cc1ncsc1CN(C)C(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is ABJZRPLGXQFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-11-14(20-10-17-11)9-18(2)15(19)13(16)8-12-6-4-3-5-7-12;;/h3-7,10,13H,8-9,16H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119876567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).