4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde

C9H10F3N3OS — CID 175353014

IUPAC4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7-5-13-8(17-7)15-3-1-14(6-16)2-4-15/h5-6H,1-4H2
InChIKeyUBGKIBJWUDYCSE-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.44
Rot. Bonds2

About 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde

4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde (PubChem CID 175353014) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde
PubChem CID175353014
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7-5-13-8(17-7)15-3-1-14(6-16)2-4-15/h5-6H,1-4H2
InChIKeyUBGKIBJWUDYCSE-UHFFFAOYSA-N
XLogP1.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.44
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 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde (CID 175353014) is 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde?
The InChIKey is UBGKIBJWUDYCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)7-5-13-8(17-7)15-3-1-14(6-16)2-4-15/h5-6H,1-4H2.
What are the key properties of 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde?
4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde has a molecular weight of 265.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 175353014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).