3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

C17H18F3N3O2S — CID 177213711

IUPAC3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1)C1(O)CCCNC1
InChIInChI=1S/C17H18F3N3O2S/c18-17(19,20)12-4-2-11(3-5-12)13-9-26-14(23-13)8-22-15(24)16(25)6-1-7-21-10-16/h2-5,9,21,25H,1,6-8,10H2,(H,22,24)
InChIKeyXXARYDZZVFEPLK-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.56
Rot. Bonds4

About 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 177213711) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID177213711
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1)C1(O)CCCNC1
InChIInChI=1S/C17H18F3N3O2S/c18-17(19,20)12-4-2-11(3-5-12)13-9-26-14(23-13)8-22-15(24)16(25)6-1-7-21-10-16/h2-5,9,21,25H,1,6-8,10H2,(H,22,24)
InChIKeyXXARYDZZVFEPLK-UHFFFAOYSA-N
XLogP2.56
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-[(3S)-piperidin-3-yl]oxyacetyl]-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213623
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790667
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793234
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 49786647
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793189
4-[2-[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-2-one
CID 45813006
N-ethyl-3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 49778676
N-(3-(2-(4-fluorophenyl)-1,3-thiazol-4-yl)-(s)-lactoyl)-benzylamine
CID 129706547
N-methyl-2-(3-morpholinyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 56906085
2,2-dimethyl-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 7119189
2-phenyl-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 7119193
4-phenyl-N-(2-(2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)ethyl)butanamide
CID 7119194

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (CID 177213711) is 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)cs1)C1(O)CCCNC1.
What is the InChIKey of 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is XXARYDZZVFEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c18-17(19,20)12-4-2-11(3-5-12)13-9-26-14(23-13)8-22-15(24)16(25)6-1-7-21-10-16/h2-5,9,21,25H,1,6-8,10H2,(H,22,24).
What are the key properties of 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 177213711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).