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

C19H18FN5S — CID 58285437

IUPAC5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C19H18FN5S/c1-24(2)16-5-3-4-14(10-16)17-12-22-19-25(17)23-18(26-19)21-11-13-6-8-15(20)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyJEXIXPKIERCDHG-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.28
Rot. Bonds5

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

5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285437) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285437
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cnc3sc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C19H18FN5S/c1-24(2)16-5-3-4-14(10-16)17-12-22-19-25(17)23-18(26-19)21-11-13-6-8-15(20)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyJEXIXPKIERCDHG-UHFFFAOYSA-N
XLogP4.28
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285437) is 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1cccc(-c2cnc3sc(NCc4ccc(F)cc4)nn23)c1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is JEXIXPKIERCDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-24(2)16-5-3-4-14(10-16)17-12-22-19-25(17)23-18(26-19)21-11-13-6-8-15(20)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 367.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).