N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H20N4S — CID 58285635

IUPACN-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)c1ccc(-c2cnc3sc(NCc4ccccc4)nn23)cc1
InChIInChI=1S/C20H20N4S/c1-14(2)16-8-10-17(11-9-16)18-13-22-20-24(18)23-19(25-20)21-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,23)
InChIKeyPQWPOZODMFWFGL-UHFFFAOYSA-N
MW348.48 g/mol
LogP5.19
Rot. Bonds5

About N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285635) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285635
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC NameN-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)c1ccc(-c2cnc3sc(NCc4ccccc4)nn23)cc1
InChIInChI=1S/C20H20N4S/c1-14(2)16-8-10-17(11-9-16)18-13-22-20-24(18)23-19(25-20)21-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,23)
InChIKeyPQWPOZODMFWFGL-UHFFFAOYSA-N
XLogP5.19
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285635) is N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)c1ccc(-c2cnc3sc(NCc4ccccc4)nn23)cc1.
What is the InChIKey of N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PQWPOZODMFWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-14(2)16-8-10-17(11-9-16)18-13-22-20-24(18)23-19(25-20)21-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 348.48 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).