3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H25FN4OS — CID 70975256

IUPAC3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(CNc1nc(CCC(=O)N2CCCC2)ns1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4OS/c1-19(2,14-5-7-15(20)8-6-14)13-21-18-22-16(23-26-18)9-10-17(25)24-11-3-4-12-24/h5-8H,3-4,9-13H2,1-2H3,(H,21,22,23)
InChIKeySGDAIWSGJZEWOL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.62
Rot. Bonds7

About 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70975256) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70975256
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(CNc1nc(CCC(=O)N2CCCC2)ns1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4OS/c1-19(2,14-5-7-15(20)8-6-14)13-21-18-22-16(23-26-18)9-10-17(25)24-11-3-4-12-24/h5-8H,3-4,9-13H2,1-2H3,(H,21,22,23)
InChIKeySGDAIWSGJZEWOL-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 70975256) is 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C)(CNc1nc(CCC(=O)N2CCCC2)ns1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SGDAIWSGJZEWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-19(2,14-5-7-15(20)8-6-14)13-21-18-22-16(23-26-18)9-10-17(25)24-11-3-4-12-24/h5-8H,3-4,9-13H2,1-2H3,(H,21,22,23).
What are the key properties of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 376.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70975256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).