5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole

C16H20FN3S — CID 56882428

IUPAC5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H20FN3S/c1-11(2)16-15(21-19-18-16)10-20-9-3-4-14(20)12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyIQPDTIVISJHZPI-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.14
Rot. Bonds4

About 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole

5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole (PubChem CID 56882428) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole
PubChem CID56882428
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1CN1CCCC1c1ccc(F)cc1
InChIInChI=1S/C16H20FN3S/c1-11(2)16-15(21-19-18-16)10-20-9-3-4-14(20)12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyIQPDTIVISJHZPI-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
The IUPAC name of 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole (CID 56882428) is 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole is CC(C)c1nnsc1CN1CCCC1c1ccc(F)cc1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
The InChIKey is IQPDTIVISJHZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-11(2)16-15(21-19-18-16)10-20-9-3-4-14(20)12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole has a molecular weight of 305.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-4-propan-2-ylthiadiazole is sourced from PubChem (CID 56882428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).