3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride

C15H20ClN3OS — CID 119735287

IUPAC3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
SMILESCCc1nc(NC(=O)C(CN)c2ccccc2)sc1C.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-3-13-10(2)20-15(17-13)18-14(19)12(9-16)11-7-5-4-6-8-11;/h4-8,12H,3,9,16H2,1-2H3,(H,17,18,19);1H
InChIKeyNDBAMFMXCKYFJV-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.12
Rot. Bonds5

About 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride (PubChem CID 119735287) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
PubChem CID119735287
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
SMILESCCc1nc(NC(=O)C(CN)c2ccccc2)sc1C.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-3-13-10(2)20-15(17-13)18-14(19)12(9-16)11-7-5-4-6-8-11;/h4-8,12H,3,9,16H2,1-2H3,(H,17,18,19);1H
InChIKeyNDBAMFMXCKYFJV-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119295899
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
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2-cyano-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 62877198
(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
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(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 52533622
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135603
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
3-amino-N-(2-ethylphenyl)-2-phenylpropanamide
CID 62878156
4-amino-5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 64888760
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119295888
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119735313
4-ethyl-5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
CID 139744839

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride (CID 119735287) is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride is CCc1nc(NC(=O)C(CN)c2ccccc2)sc1C.Cl.
What is the InChIKey of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride?
The InChIKey is NDBAMFMXCKYFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-3-13-10(2)20-15(17-13)18-14(19)12(9-16)11-7-5-4-6-8-11;/h4-8,12H,3,9,16H2,1-2H3,(H,17,18,19);1H.
What are the key properties of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride?
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119735287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).