2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide

C16H22FN5OS — CID 167756721

IUPAC2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCc1cn2nc(N3CCC(CNC(=O)CC4CC(F)C4)C3)sc2n1
InChIInChI=1S/C16H22FN5OS/c1-10-8-22-15(19-10)24-16(20-22)21-3-2-11(9-21)7-18-14(23)6-12-4-13(17)5-12/h8,11-13H,2-7,9H2,1H3,(H,18,23)
InChIKeyIGAAUENNJGWRFD-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide

2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 167756721) has the molecular formula C16H22FN5OS and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID167756721
Molecular FormulaC16H22FN5OS
Molecular Weight351.45 g/mol
Exact Mass351.15
IUPAC Name2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCc1cn2nc(N3CCC(CNC(=O)CC4CC(F)C4)C3)sc2n1
InChIInChI=1S/C16H22FN5OS/c1-10-8-22-15(19-10)24-16(20-22)21-3-2-11(9-21)7-18-14(23)6-12-4-13(17)5-12/h8,11-13H,2-7,9H2,1H3,(H,18,23)
InChIKeyIGAAUENNJGWRFD-UHFFFAOYSA-N
XLogP2.18
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide (CID 167756721) is 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide is Cc1cn2nc(N3CCC(CNC(=O)CC4CC(F)C4)C3)sc2n1.
What is the InChIKey of 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is IGAAUENNJGWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5OS/c1-10-8-22-15(19-10)24-16(20-22)21-3-2-11(9-21)7-18-14(23)6-12-4-13(17)5-12/h8,11-13H,2-7,9H2,1H3,(H,18,23).
What are the key properties of 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide?
2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 167756721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).