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

C19H19N5S — CID 58285460

IUPACN-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3c(-c4ccccc4)cnc3s2)cc1
InChIInChI=1S/C19H19N5S/c1-23(2)16-10-8-14(9-11-16)12-20-18-22-24-17(13-21-19(24)25-18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeySMMANFPTBXTVFY-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.14
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285460) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285460
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1ccc(CNc2nn3c(-c4ccccc4)cnc3s2)cc1
InChIInChI=1S/C19H19N5S/c1-23(2)16-10-8-14(9-11-16)12-20-18-22-24-17(13-21-19(24)25-18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeySMMANFPTBXTVFY-UHFFFAOYSA-N
XLogP4.14
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.14
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]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285460) is N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1ccc(CNc2nn3c(-c4ccccc4)cnc3s2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is SMMANFPTBXTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-23(2)16-10-8-14(9-11-16)12-20-18-22-24-17(13-21-19(24)25-18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 349.46 g/mol, XLogP of 4.14, 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]-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).