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

C6H10N4OS2 — CID 24659819

IUPACN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSc1nnc(N)s1
InChIInChI=1S/C6H10N4OS2/c1-4(11)8-2-3-12-6-10-9-5(7)13-6/h2-3H2,1H3,(H2,7,9)(H,8,11)
InChIKeyNKIRADOGFORFOU-UHFFFAOYSA-N
MW218.31 g/mol
LogP0.35
Rot. Bonds4

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

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide (PubChem CID 24659819) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
PubChem CID24659819
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSc1nnc(N)s1
InChIInChI=1S/C6H10N4OS2/c1-4(11)8-2-3-12-6-10-9-5(7)13-6/h2-3H2,1H3,(H2,7,9)(H,8,11)
InChIKeyNKIRADOGFORFOU-UHFFFAOYSA-N
XLogP0.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 50.35
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-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9379614
N-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917031
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
5-(3-methylsulfanylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 115647521
N-[2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9476143
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 2197756
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl-dimethylazanium
CID 7107534
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79631384
N-[[3-acetamido-5-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]-2,4,6-trimethylphenyl]methyl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51066194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide (CID 24659819) is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide is CC(=O)NCCSc1nnc(N)s1.
What is the InChIKey of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide?
The InChIKey is NKIRADOGFORFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-4(11)8-2-3-12-6-10-9-5(7)13-6/h2-3H2,1H3,(H2,7,9)(H,8,11).
What are the key properties of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide?
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide has a molecular weight of 218.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 24659819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).