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

C19H18ClN5S — CID 67221786

IUPAC6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1
InChIInChI=1S/C19H18ClN5S/c1-24(2)16-9-3-13(4-10-16)11-21-18-23-25-12-17(22-19(25)26-18)14-5-7-15(20)8-6-14/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyUTEJELBNCLJYGR-UHFFFAOYSA-N
MW383.91 g/mol
LogP4.79
Rot. Bonds5

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

6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221786) has the molecular formula C19H18ClN5S and a molecular weight of 383.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221786
Molecular FormulaC19H18ClN5S
Molecular Weight383.91 g/mol
Exact Mass383.10
IUPAC Name6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1
InChIInChI=1S/C19H18ClN5S/c1-24(2)16-9-3-13(4-10-16)11-21-18-23-25-12-17(22-19(25)26-18)14-5-7-15(20)8-6-14/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyUTEJELBNCLJYGR-UHFFFAOYSA-N
XLogP4.79
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 54.79
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 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221786) is 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1ccc(CNc2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UTEJELBNCLJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5S/c1-24(2)16-9-3-13(4-10-16)11-21-18-23-25-12-17(22-19(25)26-18)14-5-7-15(20)8-6-14/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 383.91 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).