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

C12H14F3N3O2S — CID 110717374

IUPACN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-3-1-8(2-4-18)10(19)16-5-9-6-21-7-17-9/h6-8H,1-5H2,(H,16,19)
InChIKeyUQWQDPQDYMEFHA-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.56
Rot. Bonds3

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

N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110717374) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110717374
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1cscn1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-3-1-8(2-4-18)10(19)16-5-9-6-21-7-17-9/h6-8H,1-5H2,(H,16,19)
InChIKeyUQWQDPQDYMEFHA-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110717374) is N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCc1cscn1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is UQWQDPQDYMEFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-3-1-8(2-4-18)10(19)16-5-9-6-21-7-17-9/h6-8H,1-5H2,(H,16,19).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110717374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).