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

C9H12F3N3S — CID 103363231

IUPAC5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESNc1cc(N2CCCC(C(F)(F)F)C2)sn1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)6-2-1-3-15(5-6)8-4-7(13)14-16-8/h4,6H,1-3,5H2,(H2,13,14)
InChIKeyOHWJTHBDBJAMSM-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.50
Rot. Bonds1

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

5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103363231) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103363231
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESNc1cc(N2CCCC(C(F)(F)F)C2)sn1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)6-2-1-3-15(5-6)8-4-7(13)14-16-8/h4,6H,1-3,5H2,(H2,13,14)
InChIKeyOHWJTHBDBJAMSM-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103363231) is 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is Nc1cc(N2CCCC(C(F)(F)F)C2)sn1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is OHWJTHBDBJAMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)6-2-1-3-15(5-6)8-4-7(13)14-16-8/h4,6H,1-3,5H2,(H2,13,14).
What are the key properties of 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 251.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103363231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).