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

C16H17F3N4O2S — CID 58958436

IUPAC4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2ncc(-c3cccc(OC(F)(F)F)c3)s2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)25-12-3-1-2-10(8-12)13-9-21-14(26-13)22-15(24)23-6-4-11(20)5-7-23/h1-3,8-9,11H,4-7,20H2,(H,21,22,24)
InChIKeyNYIDCQJSTCBKLX-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.66
Rot. Bonds3

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

4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 58958436) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID58958436
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2ncc(-c3cccc(OC(F)(F)F)c3)s2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)25-12-3-1-2-10(8-12)13-9-21-14(26-13)22-15(24)23-6-4-11(20)5-7-23/h1-3,8-9,11H,4-7,20H2,(H,21,22,24)
InChIKeyNYIDCQJSTCBKLX-UHFFFAOYSA-N
XLogP3.66
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 58958436) is 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is NC1CCN(C(=O)Nc2ncc(-c3cccc(OC(F)(F)F)c3)s2)CC1.
What is the InChIKey of 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is NYIDCQJSTCBKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)25-12-3-1-2-10(8-12)13-9-21-14(26-13)22-15(24)23-6-4-11(20)5-7-23/h1-3,8-9,11H,4-7,20H2,(H,21,22,24).
What are the key properties of 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide?
4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 58958436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).