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

C8H14N4OS2 — CID 2481041

IUPACN-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCCN(C)C)s1
InChIInChI=1S/C8H14N4OS2/c1-6(13)9-7-10-11-8(15-7)14-5-4-12(2)3/h4-5H2,1-3H3,(H,9,10,13)
InChIKeyYESCEJFTPCKVHB-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.15
Rot. Bonds5

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

N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2481041) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2481041
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC NameN-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCCN(C)C)s1
InChIInChI=1S/C8H14N4OS2/c1-6(13)9-7-10-11-8(15-7)14-5-4-12(2)3/h4-5H2,1-3H3,(H,9,10,13)
InChIKeyYESCEJFTPCKVHB-UHFFFAOYSA-N
XLogP1.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 849066
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1228188
2-(4,5-dihydrothiazol-2-ylthio)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide
CID 5053625
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 836232
2-{[(5Z)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-butylacetamide
CID 1863801
N-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6919150
N-[5-(2-oxo-2-pyrrolidinylethylthio)-1,3,4-thiadiazol-2-yl]acetamide
CID 895815
N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2800528
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 6852049
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135705973
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 351889
Cambridge id 6962708
CID 801760

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 2481041) is N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCCN(C)C)s1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YESCEJFTPCKVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-6(13)9-7-10-11-8(15-7)14-5-4-12(2)3/h4-5H2,1-3H3,(H,9,10,13).
What are the key properties of N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 246.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2481041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).