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

C10H16FN3S — CID 126793776

IUPAC2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(CF)CC2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-10(15-8)7-14-4-2-9(6-11)3-5-14/h9H,2-7H2,1H3
InChIKeyUMQCYKBCDGLIBG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.03
Rot. Bonds3

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

2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126793776) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID126793776
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(CF)CC2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-10(15-8)7-14-4-2-9(6-11)3-5-14/h9H,2-7H2,1H3
InChIKeyUMQCYKBCDGLIBG-UHFFFAOYSA-N
XLogP2.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole (CID 126793776) is 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CN2CCC(CF)CC2)s1.
What is the InChIKey of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is UMQCYKBCDGLIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-8-12-13-10(15-8)7-14-4-2-9(6-11)3-5-14/h9H,2-7H2,1H3.
What are the key properties of 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole?
2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 229.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(fluoromethyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126793776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).