5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine

C9H14FN3S — CID 164659442

IUPAC5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESNc1cc(N2CCC(CF)CC2)sn1
InChIInChI=1S/C9H14FN3S/c10-6-7-1-3-13(4-2-7)9-5-8(11)12-14-9/h5,7H,1-4,6H2,(H2,11,12)
InChIKeyOPYWSMBHHJXXHY-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.91
Rot. Bonds2

About 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine

5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 164659442) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID164659442
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESNc1cc(N2CCC(CF)CC2)sn1
InChIInChI=1S/C9H14FN3S/c10-6-7-1-3-13(4-2-7)9-5-8(11)12-14-9/h5,7H,1-4,6H2,(H2,11,12)
InChIKeyOPYWSMBHHJXXHY-UHFFFAOYSA-N
XLogP1.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 164659442) is 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is Nc1cc(N2CCC(CF)CC2)sn1.
What is the InChIKey of 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is OPYWSMBHHJXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c10-6-7-1-3-13(4-2-7)9-5-8(11)12-14-9/h5,7H,1-4,6H2,(H2,11,12).
What are the key properties of 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(fluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 164659442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).