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

C13H18F3N3OS — CID 71988707

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1nc(CN2CCCC(C(=O)NCC(F)(F)F)C2)cs1
InChIInChI=1S/C13H18F3N3OS/c1-9-18-11(7-21-9)6-19-4-2-3-10(5-19)12(20)17-8-13(14,15)16/h7,10H,2-6,8H2,1H3,(H,17,20)
InChIKeyAIMJMIXQUSQFNJ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.34
Rot. Bonds4

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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988707) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988707
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1nc(CN2CCCC(C(=O)NCC(F)(F)F)C2)cs1
InChIInChI=1S/C13H18F3N3OS/c1-9-18-11(7-21-9)6-19-4-2-3-10(5-19)12(20)17-8-13(14,15)16/h7,10H,2-6,8H2,1H3,(H,17,20)
InChIKeyAIMJMIXQUSQFNJ-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988707) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1nc(CN2CCCC(C(=O)NCC(F)(F)F)C2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is AIMJMIXQUSQFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-9-18-11(7-21-9)6-19-4-2-3-10(5-19)12(20)17-8-13(14,15)16/h7,10H,2-6,8H2,1H3,(H,17,20).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).