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

C17H18F3N3O4S — CID 145485873

IUPACN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F3N3O4S/c18-17(19,20)27-13-3-1-2-12(8-13)26-11-4-6-23(7-5-11)16(25)22-15-21-9-14(10-24)28-15/h1-3,8-9,11,24H,4-7,10H2,(H,21,22,25)
InChIKeyFCCJVIQVYQSYKV-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.61
Rot. Bonds5

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

N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide (PubChem CID 145485873) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide
PubChem CID145485873
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide
SMILESO=C(Nc1ncc(CO)s1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F3N3O4S/c18-17(19,20)27-13-3-1-2-12(8-13)26-11-4-6-23(7-5-11)16(25)22-15-21-9-14(10-24)28-15/h1-3,8-9,11,24H,4-7,10H2,(H,21,22,25)
InChIKeyFCCJVIQVYQSYKV-UHFFFAOYSA-N
XLogP3.61
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
(3S)-N-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxamide
CID 145485995
N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 25052545
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
1,8-naphthyridin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67171137
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide (CID 145485873) is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide is O=C(Nc1ncc(CO)s1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide?
The InChIKey is FCCJVIQVYQSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c18-17(19,20)27-13-3-1-2-12(8-13)26-11-4-6-23(7-5-11)16(25)22-15-21-9-14(10-24)28-15/h1-3,8-9,11,24H,4-7,10H2,(H,21,22,25).
What are the key properties of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide?
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 145485873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).