4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C10H14F3N3S — CID 54936377

IUPAC4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CN2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-2-1-3-16(4-7)5-8-6-17-9(14)15-8/h6-7H,1-5H2,(H2,14,15)
InChIKeyGQOYCWLBUHIOBJ-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.50
Rot. Bonds2

About 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 54936377) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID54936377
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(CN2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-2-1-3-16(4-7)5-8-6-17-9(14)15-8/h6-7H,1-5H2,(H2,14,15)
InChIKeyGQOYCWLBUHIOBJ-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 54936377) is 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(CN2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is GQOYCWLBUHIOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)7-2-1-3-16(4-7)5-8-6-17-9(14)15-8/h6-7H,1-5H2,(H2,14,15).
What are the key properties of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54936377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).