4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline

C18H20N4S — CID 13427195

IUPAC4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnsc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N4S/c1-21(2)15-9-5-13(6-10-15)17-18(23-20-19-17)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3
InChIKeyJPKQGWIREUKDTP-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.00
Rot. Bonds4

About 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline

4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline (PubChem CID 13427195) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline
PubChem CID13427195
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnsc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N4S/c1-21(2)15-9-5-13(6-10-15)17-18(23-20-19-17)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3
InChIKeyJPKQGWIREUKDTP-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline (CID 13427195) is 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnsc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline?
The InChIKey is JPKQGWIREUKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-21(2)15-9-5-13(6-10-15)17-18(23-20-19-17)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3.
What are the key properties of 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline?
4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline has a molecular weight of 324.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 13427195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).