N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H16F3N3O2S — CID 110723530

IUPACN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1csc(N(C)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C13H16F3N3O2S/c1-8-7-22-12(17-8)18(2)10(20)9-3-5-19(6-4-9)11(21)13(14,15)16/h7,9H,3-6H2,1-2H3
InChIKeyRHBFGCLHEORUJZ-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.22
Rot. Bonds2

About N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110723530) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110723530
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1csc(N(C)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)n1
InChIInChI=1S/C13H16F3N3O2S/c1-8-7-22-12(17-8)18(2)10(20)9-3-5-19(6-4-9)11(21)13(14,15)16/h7,9H,3-6H2,1-2H3
InChIKeyRHBFGCLHEORUJZ-UHFFFAOYSA-N
XLogP2.22
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110723530) is N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1csc(N(C)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)n1.
What is the InChIKey of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is RHBFGCLHEORUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-8-7-22-12(17-8)18(2)10(20)9-3-5-19(6-4-9)11(21)13(14,15)16/h7,9H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110723530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).