1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide

C15H15N5OS — CID 56815477

IUPAC1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1
InChIInChI=1S/C15H15N5OS/c16-13(21)11-6-7-19(8-11)15-18-20-9-12(17-14(20)22-15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,16,21)
InChIKeyAUYQNKOSVRHYSW-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.77
Rot. Bonds3

About 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 56815477) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID56815477
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1
InChIInChI=1S/C15H15N5OS/c16-13(21)11-6-7-19(8-11)15-18-20-9-12(17-14(20)22-15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,16,21)
InChIKeyAUYQNKOSVRHYSW-UHFFFAOYSA-N
XLogP1.77
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 56815477) is 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2nn3cc(-c4ccccc4)nc3s2)C1.
What is the InChIKey of 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is AUYQNKOSVRHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-13(21)11-6-7-19(8-11)15-18-20-9-12(17-14(20)22-15)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H2,16,21).
What are the key properties of 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide?
1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56815477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).