4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

C17H19F3N4O2S — CID 58958435

IUPAC4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCNC1CCN(C(=O)Nc2ncc(-c3cccc(OC(F)(F)F)c3)s2)CC1
InChIInChI=1S/C17H19F3N4O2S/c1-21-12-5-7-24(8-6-12)16(25)23-15-22-10-14(27-15)11-3-2-4-13(9-11)26-17(18,19)20/h2-4,9-10,12,21H,5-8H2,1H3,(H,22,23,25)
InChIKeyZMARODVMZWBTIY-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.92
Rot. Bonds4

About 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 58958435) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID58958435
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC Name4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCNC1CCN(C(=O)Nc2ncc(-c3cccc(OC(F)(F)F)c3)s2)CC1
InChIInChI=1S/C17H19F3N4O2S/c1-21-12-5-7-24(8-6-12)16(25)23-15-22-10-14(27-15)11-3-2-4-13(9-11)26-17(18,19)20/h2-4,9-10,12,21H,5-8H2,1H3,(H,22,23,25)
InChIKeyZMARODVMZWBTIY-UHFFFAOYSA-N
XLogP3.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 58958435) is 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is CNC1CCN(C(=O)Nc2ncc(-c3cccc(OC(F)(F)F)c3)s2)CC1.
What is the InChIKey of 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is ZMARODVMZWBTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-21-12-5-7-24(8-6-12)16(25)23-15-22-10-14(27-15)11-3-2-4-13(9-11)26-17(18,19)20/h2-4,9-10,12,21H,5-8H2,1H3,(H,22,23,25).
What are the key properties of 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 58958435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).