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

C11H16F3N3S — CID 120966684

IUPAC2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNC[C@@H]2C)s1
InChIInChI=1S/C11H16F3N3S/c1-7-5-15-3-4-17(7)6-9-10(11(12,13)14)16-8(2)18-9/h7,15H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyATLASBGBYZHXNM-ZETCQYMHSA-N
MW279.33 g/mol
LogP2.26
Rot. Bonds2

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

2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 120966684) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID120966684
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNC[C@@H]2C)s1
InChIInChI=1S/C11H16F3N3S/c1-7-5-15-3-4-17(7)6-9-10(11(12,13)14)16-8(2)18-9/h7,15H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyATLASBGBYZHXNM-ZETCQYMHSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 120967140
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 168510113
(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
(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
(2S)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 120839203
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
CID 120839392
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 120966684) is 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(CN2CCNC[C@@H]2C)s1.
What is the InChIKey of 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ATLASBGBYZHXNM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7-5-15-3-4-17(7)6-9-10(11(12,13)14)16-8(2)18-9/h7,15H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 279.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120966684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).