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

C15H20ClN3OS — CID 119951862

IUPAC3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)CC(N)c1ccccc1)c1nc(C)cs1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-3-18(15-17-11(2)10-20-15)14(19)9-13(16)12-7-5-4-6-8-12;/h4-8,10,13H,3,9,16H2,1-2H3;1H
InChIKeyDLDDPKWENRWSPK-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.32
Rot. Bonds5

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

3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119951862) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119951862
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)CC(N)c1ccccc1)c1nc(C)cs1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-3-18(15-17-11(2)10-20-15)14(19)9-13(16)12-7-5-4-6-8-12;/h4-8,10,13H,3,9,16H2,1-2H3;1H
InChIKeyDLDDPKWENRWSPK-UHFFFAOYSA-N
XLogP3.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331534
(2R)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331544
3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
3-amino-N-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120501354
2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119797578
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119952064
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride (CID 119951862) is 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride is CCN(C(=O)CC(N)c1ccccc1)c1nc(C)cs1.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is DLDDPKWENRWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-3-18(15-17-11(2)10-20-15)14(19)9-13(16)12-7-5-4-6-8-12;/h4-8,10,13H,3,9,16H2,1-2H3;1H.
What are the key properties of 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).