N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H18FN5S — CID 67220880

IUPACN-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3cc(-c4cccc(F)c4)nc3s2)cc1
InChIInChI=1S/C19H18FN5S/c1-24(2)16-8-6-13(7-9-16)11-21-18-23-25-12-17(22-19(25)26-18)14-4-3-5-15(20)10-14/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyOBQFHAPECQKXBI-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.28
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67220880) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67220880
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3cc(-c4cccc(F)c4)nc3s2)cc1
InChIInChI=1S/C19H18FN5S/c1-24(2)16-8-6-13(7-9-16)11-21-18-23-25-12-17(22-19(25)26-18)14-4-3-5-15(20)10-14/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyOBQFHAPECQKXBI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67220880) is N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1ccc(CNc2nn3cc(-c4cccc(F)c4)nc3s2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OBQFHAPECQKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-24(2)16-8-6-13(7-9-16)11-21-18-23-25-12-17(22-19(25)26-18)14-4-3-5-15(20)10-14/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)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 N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67220880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).