N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C15H21ClN4O2S — CID 119787258

IUPACN-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-10-6-11(2)8-12(7-10)14-18-19-15(22-14)17-13(20)9-16-4-5-21-3;/h6-8,16H,4-5,9H2,1-3H3,(H,17,19,20);1H
InChIKeyJXXUJXNOSXGSTH-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.42
Rot. Bonds7

About N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119787258) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119787258
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-10-6-11(2)8-12(7-10)14-18-19-15(22-14)17-13(20)9-16-4-5-21-3;/h6-8,16H,4-5,9H2,1-3H3,(H,17,19,20);1H
InChIKeyJXXUJXNOSXGSTH-UHFFFAOYSA-N
XLogP2.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119325693
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 82176862
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774673
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide
CID 82176847
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
2-(2-methoxyethylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]acetamide;hydrochloride
CID 119759369
2-(2-methoxyethylamino)-N-[(2,4,6-trimethylphenyl)methyl]acetamide;hydrochloride
CID 119716132
N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119787258) is N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1.Cl.
What is the InChIKey of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is JXXUJXNOSXGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-10-6-11(2)8-12(7-10)14-18-19-15(22-14)17-13(20)9-16-4-5-21-3;/h6-8,16H,4-5,9H2,1-3H3,(H,17,19,20);1H.
What are the key properties of N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119787258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).