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

C10H12N4S — CID 7479831

IUPAC5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4S/c1-14(2)8-5-3-7(4-6-8)9-12-13-10(11)15-9/h3-6H,1-2H3,(H2,11,13)
InChIKeyMPUIFWRGZSDUFG-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.85
Rot. Bonds2

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

5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 7479831) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID7479831
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4S/c1-14(2)8-5-3-7(4-6-8)9-12-13-10(11)15-9/h3-6H,1-2H3,(H2,11,13)
InChIKeyMPUIFWRGZSDUFG-UHFFFAOYSA-N
XLogP1.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine (CID 7479831) is 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine is CN(C)c1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MPUIFWRGZSDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14(2)8-5-3-7(4-6-8)9-12-13-10(11)15-9/h3-6H,1-2H3,(H2,11,13).
What are the key properties of 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7479831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).