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

C10H14F3N3S — CID 120845864

IUPAC5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESC[C@H]1CN(Cc2cnc(C(F)(F)F)s2)CCN1
InChIInChI=1S/C10H14F3N3S/c1-7-5-16(3-2-14-7)6-8-4-15-9(17-8)10(11,12)13/h4,7,14H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyTTXGHTFGEBZKQJ-ZETCQYMHSA-N
MW265.30 g/mol
LogP1.96
Rot. Bonds2

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

5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 120845864) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID120845864
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESC[C@H]1CN(Cc2cnc(C(F)(F)F)s2)CCN1
InChIInChI=1S/C10H14F3N3S/c1-7-5-16(3-2-14-7)6-8-4-15-9(17-8)10(11,12)13/h4,7,14H,2-3,5-6H2,1H3/t7-/m0/s1
InChIKeyTTXGHTFGEBZKQJ-ZETCQYMHSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole (CID 120845864) is 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole is C[C@H]1CN(Cc2cnc(C(F)(F)F)s2)CCN1.
What is the InChIKey of 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is TTXGHTFGEBZKQJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-7-5-16(3-2-14-7)6-8-4-15-9(17-8)10(11,12)13/h4,7,14H,2-3,5-6H2,1H3/t7-/m0/s1.
What are the key properties of 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 265.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120845864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).