5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole

C12H18F3N3S — CID 120967140

IUPAC5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNC(C)C2C)s1
InChIInChI=1S/C12H18F3N3S/c1-7-8(2)18(5-4-16-7)6-10-11(12(13,14)15)17-9(3)19-10/h7-8,16H,4-6H2,1-3H3
InChIKeyHDUQTDWWWOTHEW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.65
Rot. Bonds2

About 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole

5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 120967140) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID120967140
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNC(C)C2C)s1
InChIInChI=1S/C12H18F3N3S/c1-7-8(2)18(5-4-16-7)6-10-11(12(13,14)15)17-9(3)19-10/h7-8,16H,4-6H2,1-3H3
InChIKeyHDUQTDWWWOTHEW-UHFFFAOYSA-N
XLogP2.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 120966684
2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
CID 120843286
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120965877
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120966315
(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 99839715
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 120967134
CID 89327819
CID 89327819

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 120967140) is 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(CN2CCNC(C)C2C)s1.
What is the InChIKey of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HDUQTDWWWOTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-7-8(2)18(5-4-16-7)6-10-11(12(13,14)15)17-9(3)19-10/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120967140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).