N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H16F3N3O2S — CID 110738973

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1cnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C13H16F3N3O2S/c1-8-6-17-10(22-8)7-18-11(20)9-2-4-19(5-3-9)12(21)13(14,15)16/h6,9H,2-5,7H2,1H3,(H,18,20)
InChIKeyVQICQYHJSIDSOD-UHFFFAOYSA-N
MW335.35 g/mol
LogP1.87
Rot. Bonds3

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110738973) has the molecular formula C13H16F3N3O2S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110738973
Molecular FormulaC13H16F3N3O2S
Molecular Weight335.35 g/mol
Exact Mass335.09
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1cnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)s1
InChIInChI=1S/C13H16F3N3O2S/c1-8-6-17-10(22-8)7-18-11(20)9-2-4-19(5-3-9)12(21)13(14,15)16/h6,9H,2-5,7H2,1H3,(H,18,20)
InChIKeyVQICQYHJSIDSOD-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,2-difluoroethyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 137991658
(3S)-3-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-2-one
CID 164632613
(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 164633225
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-5-methylthiazole-2-carboxamide
CID 132227753
(4S)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827695
(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827696
1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 100679368
2-amino-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 105911422
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105911436
4-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109971331
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110289669
N-[2-(1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717539

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110738973) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1cnc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is VQICQYHJSIDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2S/c1-8-6-17-10(22-8)7-18-11(20)9-2-4-19(5-3-9)12(21)13(14,15)16/h6,9H,2-5,7H2,1H3,(H,18,20).
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110738973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).