5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C10H16FN3OS — CID 155941734

IUPAC5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCCC(CF)C2)n1
InChIInChI=1S/C10H16FN3OS/c1-15-7-9-12-10(16-13-9)14-4-2-3-8(5-11)6-14/h8H,2-7H2,1H3
InChIKeySVTUMECYXWRXHY-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.87
Rot. Bonds4

About 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 155941734) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID155941734
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC Name5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCCC(CF)C2)n1
InChIInChI=1S/C10H16FN3OS/c1-15-7-9-12-10(16-13-9)14-4-2-3-8(5-11)6-14/h8H,2-7H2,1H3
InChIKeySVTUMECYXWRXHY-UHFFFAOYSA-N
XLogP1.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
3-(methoxymethyl)-5-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164635685
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]ethanamine
CID 107305939
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]ethanamine
CID 107305961
3-(Methoxymethyl)-5-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 126819095
3-(methoxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133486746
1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 136518258
1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidine
CID 145914150
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)piperidine
CID 145914163

Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 155941734) is 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCCC(CF)C2)n1.
What is the InChIKey of 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is SVTUMECYXWRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-15-7-9-12-10(16-13-9)14-4-2-3-8(5-11)6-14/h8H,2-7H2,1H3.
What are the key properties of 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 245.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 155941734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).