N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride

C13H16ClN3O2S — CID 163328991

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
SMILESCCOCC(=O)Nc1nnc(Cc2ccccc2)s1.Cl
InChIInChI=1S/C13H15N3O2S.ClH/c1-2-18-9-11(17)14-13-16-15-12(19-13)8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,14,16,17);1H
InChIKeyDTTZMJKGUCJMLK-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.53
Rot. Bonds6

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride (PubChem CID 163328991) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
PubChem CID163328991
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
SMILESCCOCC(=O)Nc1nnc(Cc2ccccc2)s1.Cl
InChIInChI=1S/C13H15N3O2S.ClH/c1-2-18-9-11(17)14-13-16-15-12(19-13)8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,14,16,17);1H
InChIKeyDTTZMJKGUCJMLK-UHFFFAOYSA-N
XLogP2.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 71933404

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride (CID 163328991) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride is CCOCC(=O)Nc1nnc(Cc2ccccc2)s1.Cl.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride?
The InChIKey is DTTZMJKGUCJMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S.ClH/c1-2-18-9-11(17)14-13-16-15-12(19-13)8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,14,16,17);1H.
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride has a molecular weight of 313.81 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride is sourced from PubChem (CID 163328991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).