3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole

C15H18FN3OS — CID 43949645

IUPAC3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OCc2ccccc2F)CC1
InChIInChI=1S/C15H18FN3OS/c1-11-6-8-19(9-7-11)14-15(18-21-17-14)20-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3
InChIKeyQXPMAHJMZSHQSZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.49
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole

3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949645) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949645
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCC1CCN(c2nsnc2OCc2ccccc2F)CC1
InChIInChI=1S/C15H18FN3OS/c1-11-6-8-19(9-7-11)14-15(18-21-17-14)20-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3
InChIKeyQXPMAHJMZSHQSZ-UHFFFAOYSA-N
XLogP3.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949645) is 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole is CC1CCN(c2nsnc2OCc2ccccc2F)CC1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is QXPMAHJMZSHQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-11-6-8-19(9-7-11)14-15(18-21-17-14)20-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole?
3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 307.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).