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

C15H15F3N2O2S2 — CID 146135023

IUPAC4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCCC(c3nc(C(F)(F)F)cs3)C2)cs1
InChIInChI=1S/C15H15F3N2O2S2/c16-15(17,18)12-8-24-13(19-12)10-2-1-3-20(6-10)5-9-4-11(14(21)22)23-7-9/h4,7-8,10H,1-3,5-6H2,(H,21,22)
InChIKeyZDFIKGCMQNZFTJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.30
Rot. Bonds4

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

4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 146135023) has the molecular formula C15H15F3N2O2S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID146135023
Molecular FormulaC15H15F3N2O2S2
Molecular Weight376.43 g/mol
Exact Mass376.05
IUPAC Name4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCCC(c3nc(C(F)(F)F)cs3)C2)cs1
InChIInChI=1S/C15H15F3N2O2S2/c16-15(17,18)12-8-24-13(19-12)10-2-1-3-20(6-10)5-9-4-11(14(21)22)23-7-9/h4,7-8,10H,1-3,5-6H2,(H,21,22)
InChIKeyZDFIKGCMQNZFTJ-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

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

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Related Compounds

5-(2-Methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
CID 45792023
4-[[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 137972327
5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
CID 138021361
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
5-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
5-[2-(3,5-Difluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355688
5-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 79954584
5-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 103146538
5-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 103146539
5-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 112639652
5-[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 121918724

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid (CID 146135023) is 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1cc(CN2CCCC(c3nc(C(F)(F)F)cs3)C2)cs1.
What is the InChIKey of 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is ZDFIKGCMQNZFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S2/c16-15(17,18)12-8-24-13(19-12)10-2-1-3-20(6-10)5-9-4-11(14(21)22)23-7-9/h4,7-8,10H,1-3,5-6H2,(H,21,22).
What are the key properties of 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
4-[[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 4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 146135023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).