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

C8H10N6OS3 — CID 3353473

IUPACN-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCCc2nnc(N)s2)s1
InChIInChI=1S/C8H10N6OS3/c1-4(15)10-7-13-14-8(18-7)16-3-2-5-11-12-6(9)17-5/h2-3H2,1H3,(H2,9,12)(H,10,13,15)
InChIKeyKFVIQSJMSVQARF-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.26
Rot. Bonds5

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

N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3353473) has the molecular formula C8H10N6OS3 and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3353473
Molecular FormulaC8H10N6OS3
Molecular Weight302.41 g/mol
Exact Mass302.01
IUPAC NameN-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCCc2nnc(N)s2)s1
InChIInChI=1S/C8H10N6OS3/c1-4(15)10-7-13-14-8(18-7)16-3-2-5-11-12-6(9)17-5/h2-3H2,1H3,(H2,9,12)(H,10,13,15)
InChIKeyKFVIQSJMSVQARF-UHFFFAOYSA-N
XLogP1.26
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3-(5-Ethyl-1,3,4-thiadiazol-2-yl)-2-imino-1,3-thiazolidin-4-one
CID 593359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3152696
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2033429
N-(5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 5244883
N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
CID 2224568
N,N'-(ethane-1,2-diyldi-1,3,4-thiadiazol-2-yl-5-ylidene)bis(2-methylpropanamide)
CID 663547
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]sulfanylpropanamide
CID 1744648
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-({3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}sulfanyl)propanamide
CID 1754405
N-{5-[2-({2-[5-(acetylamino)-1,3,4-thiadiazol-2-yl]ethyl}sulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 3100997
2-methyl-N-[5-[2-[2-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982466
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6499883
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 126477699

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 3353473) is N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCCc2nnc(N)s2)s1.
What is the InChIKey of N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KFVIQSJMSVQARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS3/c1-4(15)10-7-13-14-8(18-7)16-3-2-5-11-12-6(9)17-5/h2-3H2,1H3,(H2,9,12)(H,10,13,15).
What are the key properties of N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 302.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3353473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).