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

C11H13F3N2O2S — CID 136535243

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)N1CCC(CO)CC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)10-15-8(6-19-10)9(18)16-3-1-7(5-17)2-4-16/h6-7,17H,1-5H2
InChIKeyYGWPNKDBQLZWFG-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.01
Rot. Bonds2

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

[4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 136535243) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID136535243
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)N1CCC(CO)CC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)10-15-8(6-19-10)9(18)16-3-1-7(5-17)2-4-16/h6-7,17H,1-5H2
InChIKeyYGWPNKDBQLZWFG-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 136535243) is [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(C(F)(F)F)n1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is YGWPNKDBQLZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)10-15-8(6-19-10)9(18)16-3-1-7(5-17)2-4-16/h6-7,17H,1-5H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 294.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136535243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).