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

C9H14FN3S — CID 126793806

IUPAC2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(CF)CC2)s1
InChIInChI=1S/C9H14FN3S/c1-7-11-12-9(14-7)13-4-2-8(6-10)3-5-13/h8H,2-6H2,1H3
InChIKeyWZQKIKUSXJTPKV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.03
Rot. Bonds2

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

2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126793806) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID126793806
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(CF)CC2)s1
InChIInChI=1S/C9H14FN3S/c1-7-11-12-9(14-7)13-4-2-8(6-10)3-5-13/h8H,2-6H2,1H3
InChIKeyWZQKIKUSXJTPKV-UHFFFAOYSA-N
XLogP2.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
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]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 126793806) is 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCC(CF)CC2)s1.
What is the InChIKey of 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is WZQKIKUSXJTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-7-11-12-9(14-7)13-4-2-8(6-10)3-5-13/h8H,2-6H2,1H3.
What are the key properties of 2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(fluoromethyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 2.03, 2 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]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126793806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).