5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole

C9H12F3N3S — CID 21100189

IUPAC5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1sc(N2CCNCC2)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3S/c1-6-7(9(10,11)12)14-8(16-6)15-4-2-13-3-5-15/h13H,2-5H2,1H3
InChIKeyDZVCSESGFDLUAP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.88
Rot. Bonds1

About 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole

5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 21100189) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID21100189
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1sc(N2CCNCC2)nc1C(F)(F)F
InChIInChI=1S/C9H12F3N3S/c1-6-7(9(10,11)12)14-8(16-6)15-4-2-13-3-5-15/h13H,2-5H2,1H3
InChIKeyDZVCSESGFDLUAP-UHFFFAOYSA-N
XLogP1.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
CID 169312225
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014
4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 62632333
5-fluoro-2-piperazin-1-yl-6-(trifluoromethyl)-1,3-benzothiazole;dihydrochloride
CID 162324380
5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
CID 82162161
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122160087
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 94777129
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259
2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 141447757
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole (CID 21100189) is 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole is Cc1sc(N2CCNCC2)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DZVCSESGFDLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-6-7(9(10,11)12)14-8(16-6)15-4-2-13-3-5-15/h13H,2-5H2,1H3.
What are the key properties of 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 251.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 21100189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).