5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

C10H12F3N3O2S — CID 122418608

IUPAC5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H]1CN(c2sc(C(F)(F)F)nc2C(=O)O)CCN1
InChIInChI=1S/C10H12F3N3O2S/c1-5-4-16(3-2-14-5)7-6(8(17)18)15-9(19-7)10(11,12)13/h5,14H,2-4H2,1H3,(H,17,18)/t5-/m1/s1
InChIKeyQIVDFFINEOIDSF-RXMQYKEDSA-N
MW295.29 g/mol
LogP1.66
Rot. Bonds2

About 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 122418608) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID122418608
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESC[C@@H]1CN(c2sc(C(F)(F)F)nc2C(=O)O)CCN1
InChIInChI=1S/C10H12F3N3O2S/c1-5-4-16(3-2-14-5)7-6(8(17)18)15-9(19-7)10(11,12)13/h5,14H,2-4H2,1H3,(H,17,18)/t5-/m1/s1
InChIKeyQIVDFFINEOIDSF-RXMQYKEDSA-N
XLogP1.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid 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 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (CID 122418608) is 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is C[C@@H]1CN(c2sc(C(F)(F)F)nc2C(=O)O)CCN1.
What is the InChIKey of 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QIVDFFINEOIDSF-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-5-4-16(3-2-14-5)7-6(8(17)18)15-9(19-7)10(11,12)13/h5,14H,2-4H2,1H3,(H,17,18)/t5-/m1/s1.
What are the key properties of 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 122418608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).