5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine

C11H14N4S — CID 647694

IUPAC5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C11H14N4S/c1-12-11-14-13-10(16-11)8-5-4-6-9(7-8)15(2)3/h4-7H,1-3H3,(H,12,14)
InChIKeyZFBFXUMZDWANJB-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.31
Rot. Bonds3

About 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 647694) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID647694
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C11H14N4S/c1-12-11-14-13-10(16-11)8-5-4-6-9(7-8)15(2)3/h4-7H,1-3H3,(H,12,14)
InChIKeyZFBFXUMZDWANJB-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 647694) is 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cccc(N(C)C)c2)s1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZFBFXUMZDWANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-12-11-14-13-10(16-11)8-5-4-6-9(7-8)15(2)3/h4-7H,1-3H3,(H,12,14).
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 647694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).