2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde

C10H11F3N2OS — CID 42544138

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)7-1-3-15(4-2-7)9-14-5-8(6-16)17-9/h5-7H,1-4H2
InChIKeyDGADTZIGHLQBTO-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.73
Rot. Bonds2

About 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde

2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 42544138) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID42544138
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)7-1-3-15(4-2-7)9-14-5-8(6-16)17-9/h5-7H,1-4H2
InChIKeyDGADTZIGHLQBTO-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde (CID 42544138) is 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is DGADTZIGHLQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)7-1-3-15(4-2-7)9-14-5-8(6-16)17-9/h5-7H,1-4H2.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde?
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 264.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 42544138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).