N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide

C8H14N4OS2 — CID 9379614

IUPACN-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
SMILESCCNc1nnc(SCCNC(C)=O)s1
InChIInChI=1S/C8H14N4OS2/c1-3-9-7-11-12-8(15-7)14-5-4-10-6(2)13/h3-5H2,1-2H3,(H,9,11)(H,10,13)
InChIKeyDUGWHEODTBOKOE-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.20
Rot. Bonds6

About N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide

N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide (PubChem CID 9379614) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
PubChem CID9379614
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC NameN-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
SMILESCCNc1nnc(SCCNC(C)=O)s1
InChIInChI=1S/C8H14N4OS2/c1-3-9-7-11-12-8(15-7)14-5-4-10-6(2)13/h3-5H2,1-2H3,(H,9,11)(H,10,13)
InChIKeyDUGWHEODTBOKOE-UHFFFAOYSA-N
XLogP1.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.20
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

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
CID 24659819
N-[2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9476143
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 27987763
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 17415200
5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 18130788
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl-dimethylazanium
CID 2481040
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 52546899
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18101267
N,N-diethyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 47115255

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide (CID 9379614) is N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide is CCNc1nnc(SCCNC(C)=O)s1.
What is the InChIKey of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide?
The InChIKey is DUGWHEODTBOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-3-9-7-11-12-8(15-7)14-5-4-10-6(2)13/h3-5H2,1-2H3,(H,9,11)(H,10,13).
What are the key properties of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide?
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide has a molecular weight of 246.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide is sourced from PubChem (CID 9379614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).