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

C15H21Cl2N3OS — CID 120613405

IUPAC3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
SMILESCCc1cnc(CNC(=O)CCc2ccccc2N)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-12-9-18-15(20-12)10-17-14(19)8-7-11-5-3-4-6-13(11)16;;/h3-6,9H,2,7-8,10,16H2,1H3,(H,17,19);2*1H
InChIKeyFVAKZPUTOWJJAA-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.38
Rot. Bonds6

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

3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride (PubChem CID 120613405) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
PubChem CID120613405
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
SMILESCCc1cnc(CNC(=O)CCc2ccccc2N)s1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-12-9-18-15(20-12)10-17-14(19)8-7-11-5-3-4-6-13(11)16;;/h3-6,9H,2,7-8,10,16H2,1H3,(H,17,19);2*1H
InChIKeyFVAKZPUTOWJJAA-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 63303724
3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
CID 120610920
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609340

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride (CID 120613405) is 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride is CCc1cnc(CNC(=O)CCc2ccccc2N)s1.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride?
The InChIKey is FVAKZPUTOWJJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-2-12-9-18-15(20-12)10-17-14(19)8-7-11-5-3-4-6-13(11)16;;/h3-6,9H,2,7-8,10,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 120613405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).