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

C16H23Cl2N3OS — CID 119896831

IUPAC2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
SMILESCCc1cnc(CN(C)C(=O)C(N)Cc2ccccc2)s1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-3-13-10-18-15(21-13)11-19(2)16(20)14(17)9-12-7-5-4-6-8-12;;/h4-8,10,14H,3,9,11,17H2,1-2H3;2*1H
InChIKeyLMWUHYLLLBRWLQ-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.08
Rot. Bonds6

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

2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119896831) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119896831
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
SMILESCCc1cnc(CN(C)C(=O)C(N)Cc2ccccc2)s1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-3-13-10-18-15(21-13)11-19(2)16(20)14(17)9-12-7-5-4-6-8-12;;/h4-8,10,14H,3,9,11,17H2,1-2H3;2*1H
InChIKeyLMWUHYLLLBRWLQ-UHFFFAOYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 119954141
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597348
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119876567
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
CID 84588637
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride (CID 119896831) is 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride is CCc1cnc(CN(C)C(=O)C(N)Cc2ccccc2)s1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is LMWUHYLLLBRWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-3-13-10-18-15(21-13)11-19(2)16(20)14(17)9-12-7-5-4-6-8-12;;/h4-8,10,14H,3,9,11,17H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride?
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 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]-N-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119896831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).