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

C21H24N6S — CID 58285501

IUPAC5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3c(-c4cccc(N(C)C)c4)cnc3s2)cc1
InChIInChI=1S/C21H24N6S/c1-25(2)17-10-8-15(9-11-17)13-22-20-24-27-19(14-23-21(27)28-20)16-6-5-7-18(12-16)26(3)4/h5-12,14H,13H2,1-4H3,(H,22,24)
InChIKeyGVBUUQIHDXBVAY-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.20
Rot. Bonds6

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

5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285501) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285501
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3c(-c4cccc(N(C)C)c4)cnc3s2)cc1
InChIInChI=1S/C21H24N6S/c1-25(2)17-10-8-15(9-11-17)13-22-20-24-27-19(14-23-21(27)28-20)16-6-5-7-18(12-16)26(3)4/h5-12,14H,13H2,1-4H3,(H,22,24)
InChIKeyGVBUUQIHDXBVAY-UHFFFAOYSA-N
XLogP4.20
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285501) is 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1ccc(CNc2nn3c(-c4cccc(N(C)C)c4)cnc3s2)cc1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is GVBUUQIHDXBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S/c1-25(2)17-10-8-15(9-11-17)13-22-20-24-27-19(14-23-21(27)28-20)16-6-5-7-18(12-16)26(3)4/h5-12,14H,13H2,1-4H3,(H,22,24).
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 392.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).