[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C11H14F3N3OS — CID 66375511

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNCc1nc(C(=O)N2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)7-2-1-3-17(5-7)10(18)8-6-19-9(4-15)16-8/h6-7H,1-5,15H2
InChIKeyXJFAXYINPMLMCX-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.02
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 66375511) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID66375511
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNCc1nc(C(=O)N2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)7-2-1-3-17(5-7)10(18)8-6-19-9(4-15)16-8/h6-7H,1-5,15H2
InChIKeyXJFAXYINPMLMCX-UHFFFAOYSA-N
XLogP2.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 66375511) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is NCc1nc(C(=O)N2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is XJFAXYINPMLMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)7-2-1-3-17(5-7)10(18)8-6-19-9(4-15)16-8/h6-7H,1-5,15H2.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 293.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66375511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).