4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid

C10H12F3N3O2S — CID 21100262

IUPAC4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESCc1nc(N2CCN(C(=O)O)CC2)sc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2S/c1-6-7(10(11,12)13)19-8(14-6)15-2-4-16(5-3-15)9(17)18/h2-5H2,1H3,(H,17,18)
InChIKeyDTLWYJGDDBZBGI-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.27
Rot. Bonds1

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

4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (PubChem CID 21100262) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
PubChem CID21100262
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
SMILESCc1nc(N2CCN(C(=O)O)CC2)sc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2S/c1-6-7(10(11,12)13)19-8(14-6)15-2-4-16(5-3-15)9(17)18/h2-5H2,1H3,(H,17,18)
InChIKeyDTLWYJGDDBZBGI-UHFFFAOYSA-N
XLogP2.27
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid (CID 21100262) is 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is Cc1nc(N2CCN(C(=O)O)CC2)sc1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
The InChIKey is DTLWYJGDDBZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-6-7(10(11,12)13)19-8(14-6)15-2-4-16(5-3-15)9(17)18/h2-5H2,1H3,(H,17,18).
What are the key properties of 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid?
4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 21100262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).