2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

C16H16F3N3O2S — CID 70741919

IUPAC2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-10(8-11)15(24)4-6-22(7-5-15)14-21-12(9-25-14)13(20)23/h1-3,8-9,24H,4-7H2,(H2,20,23)
InChIKeyCXAOPMGFCPZZBS-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.75
Rot. Bonds3

About 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70741919) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID70741919
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-10(8-11)15(24)4-6-22(7-5-15)14-21-12(9-25-14)13(20)23/h1-3,8-9,24H,4-7H2,(H2,20,23)
InChIKeyCXAOPMGFCPZZBS-UHFFFAOYSA-N
XLogP2.75
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (CID 70741919) is 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CXAOPMGFCPZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-10(8-11)15(24)4-6-22(7-5-15)14-21-12(9-25-14)13(20)23/h1-3,8-9,24H,4-7H2,(H2,20,23).
What are the key properties of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70741919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).