3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid

C15H15F3N2O2S2 — CID 146135024

IUPAC3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H15F3N2O2S2/c16-15(17,18)11-8-24-13(19-11)10-2-1-4-20(7-10)6-9-3-5-23-12(9)14(21)22/h3,5,8,10H,1-2,4,6-7H2,(H,21,22)
InChIKeyIYKNNTPLKRCCRK-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.30
Rot. Bonds4

About 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid

3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 146135024) has the molecular formula C15H15F3N2O2S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID146135024
Molecular FormulaC15H15F3N2O2S2
Molecular Weight376.43 g/mol
Exact Mass376.05
IUPAC Name3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H15F3N2O2S2/c16-15(17,18)11-8-24-13(19-11)10-2-1-4-20(7-10)6-9-3-5-23-12(9)14(21)22/h3,5,8,10H,1-2,4,6-7H2,(H,21,22)
InChIKeyIYKNNTPLKRCCRK-UHFFFAOYSA-N
XLogP4.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 137972327
5-methyl-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164634219
5-[[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164639446
3-[[methyl-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 164640429
5-[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 121918724
4-[[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 121924145
4-[[4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 122034995
4-[[3-(4-Propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 132299732
3-[[Methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]methyl]thiophene-2-carboxylic acid
CID 136550671
5-[4-(Difluoromethyl)-1,3-thiazol-2-yl]thiophene-3-carboxylic acid
CID 137941867
4-[[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 146135023
4-Methyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167757595

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid (CID 146135024) is 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CN1CCCC(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is IYKNNTPLKRCCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S2/c16-15(17,18)11-8-24-13(19-11)10-2-1-4-20(7-10)6-9-3-5-23-12(9)14(21)22/h3,5,8,10H,1-2,4,6-7H2,(H,21,22).
What are the key properties of 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 146135024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).