4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide

C11H12N4OS2 — CID 63358698

IUPAC4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(Sc2nncs2)c1
InChIInChI=1S/C11H12N4OS2/c1-15(2)10(16)7-3-4-8(12)9(5-7)18-11-14-13-6-17-11/h3-6H,12H2,1-2H3
InChIKeyJHPHORGNTBQGBN-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.97
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide

4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide (PubChem CID 63358698) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
PubChem CID63358698
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(Sc2nncs2)c1
InChIInChI=1S/C11H12N4OS2/c1-15(2)10(16)7-3-4-8(12)9(5-7)18-11-14-13-6-17-11/h3-6H,12H2,1-2H3
InChIKeyJHPHORGNTBQGBN-UHFFFAOYSA-N
XLogP1.97
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide (CID 63358698) is 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide is CN(C)C(=O)c1ccc(N)c(Sc2nncs2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
The InChIKey is JHPHORGNTBQGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-15(2)10(16)7-3-4-8(12)9(5-7)18-11-14-13-6-17-11/h3-6H,12H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide?
4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide has a molecular weight of 280.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 63358698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).