2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C10H18N4O2S — CID 3229609

IUPAC2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOCCCNCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H18N4O2S/c1-3-16-6-4-5-11-7-9(15)12-10-14-13-8(2)17-10/h11H,3-7H2,1-2H3,(H,12,14,15)
InChIKeyIMSAIOUZUXJIQN-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.80
Rot. Bonds8

About 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3229609) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3229609
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCOCCCNCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H18N4O2S/c1-3-16-6-4-5-11-7-9(15)12-10-14-13-8(2)17-10/h11H,3-7H2,1-2H3,(H,12,14,15)
InChIKeyIMSAIOUZUXJIQN-UHFFFAOYSA-N
XLogP0.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.80
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-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 47066278
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624585
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
2-(3-ethoxypropylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60672261
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119787258
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 39723877

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3229609) is 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCOCCCNCC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IMSAIOUZUXJIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-16-6-4-5-11-7-9(15)12-10-14-13-8(2)17-10/h11H,3-7H2,1-2H3,(H,12,14,15).
What are the key properties of 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 258.35 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3229609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).