3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride

C13H17ClN4OS — CID 120607869

IUPAC3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCCc1nnc(NC(=O)CCc2ccccc2N)s1.Cl
InChIInChI=1S/C13H16N4OS.ClH/c1-2-12-16-17-13(19-12)15-11(18)8-7-9-5-3-4-6-10(9)14;/h3-6H,2,7-8,14H2,1H3,(H,15,17,18);1H
InChIKeyHBNUHBPQCXCYLH-UHFFFAOYSA-N
MW312.83 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (PubChem CID 120607869) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
PubChem CID120607869
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCCc1nnc(NC(=O)CCc2ccccc2N)s1.Cl
InChIInChI=1S/C13H16N4OS.ClH/c1-2-12-16-17-13(19-12)15-11(18)8-7-9-5-3-4-6-10(9)14;/h3-6H,2,7-8,14H2,1H3,(H,15,17,18);1H
InChIKeyHBNUHBPQCXCYLH-UHFFFAOYSA-N
XLogP2.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787323
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
N-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176796
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613405
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
3-(2-aminophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 120610398

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (CID 120607869) is 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is CCc1nnc(NC(=O)CCc2ccccc2N)s1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The InChIKey is HBNUHBPQCXCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS.ClH/c1-2-12-16-17-13(19-12)15-11(18)8-7-9-5-3-4-6-10(9)14;/h3-6H,2,7-8,14H2,1H3,(H,15,17,18);1H.
What are the key properties of 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride has a molecular weight of 312.83 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120607869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).