5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole

C15H18F3N3S2 — CID 100687685

IUPAC5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESC[C@H](c1ccsc1)N1CCN(Cc2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H18F3N3S2/c1-11(12-2-7-22-10-12)21-5-3-20(4-6-21)9-13-8-19-14(23-13)15(16,17)18/h2,7-8,10-11H,3-6,9H2,1H3/t11-/m1/s1
InChIKeyZLABTBLUUVJZAS-LLVKDONJSA-N
MW361.46 g/mol
LogP4.10
Rot. Bonds4

About 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole

5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 100687685) has the molecular formula C15H18F3N3S2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID100687685
Molecular FormulaC15H18F3N3S2
Molecular Weight361.46 g/mol
Exact Mass361.09
IUPAC Name5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESC[C@H](c1ccsc1)N1CCN(Cc2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H18F3N3S2/c1-11(12-2-7-22-10-12)21-5-3-20(4-6-21)9-13-8-19-14(23-13)15(16,17)18/h2,7-8,10-11H,3-6,9H2,1H3/t11-/m1/s1
InChIKeyZLABTBLUUVJZAS-LLVKDONJSA-N
XLogP4.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole (CID 100687685) is 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole is C[C@H](c1ccsc1)N1CCN(Cc2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZLABTBLUUVJZAS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3N3S2/c1-11(12-2-7-22-10-12)21-5-3-20(4-6-21)9-13-8-19-14(23-13)15(16,17)18/h2,7-8,10-11H,3-6,9H2,1H3/t11-/m1/s1.
What are the key properties of 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 361.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 100687685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).