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

C9H14N4O2S2 — CID 6852049

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(SCC(N)=O)s1
InChIInChI=1S/C9H14N4O2S2/c1-9(2,3)6(15)11-7-12-13-8(17-7)16-4-5(10)14/h4H2,1-3H3,(H2,10,14)(H,11,12,15)
InChIKeySSQXHXMSOOSLIG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.10
Rot. Bonds4

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

N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 6852049) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID6852049
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(SCC(N)=O)s1
InChIInChI=1S/C9H14N4O2S2/c1-9(2,3)6(15)11-7-12-13-8(17-7)16-4-5(10)14/h4H2,1-3H3,(H2,10,14)(H,11,12,15)
InChIKeySSQXHXMSOOSLIG-UHFFFAOYSA-N
XLogP1.10
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
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]-3-methylbutanamide
CID 3586309
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 849066
2-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]thio}-N-(tert-butyl)acetamide
CID 802824
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 873588
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)propionamide
CID 1228188
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 3158288
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}propanamide
CID 3158306
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 4395445
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)acetamide
CID 16187070
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220441
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 836232
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 658691

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 6852049) is N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nnc(SCC(N)=O)s1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is SSQXHXMSOOSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-9(2,3)6(15)11-7-12-13-8(17-7)16-4-5(10)14/h4H2,1-3H3,(H2,10,14)(H,11,12,15).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 274.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 6852049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).