N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide

C17H20FN3OS — CID 118524281

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)N1CCCCC1
InChIInChI=1S/C17H20FN3OS/c18-14-6-4-13(5-7-14)16-20-15(12-23-16)8-9-19-17(22)21-10-2-1-3-11-21/h4-7,12H,1-3,8-11H2,(H,19,22)
InChIKeyKYWQCSOIWJARPQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.69
Rot. Bonds4

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (PubChem CID 118524281) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
PubChem CID118524281
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)N1CCCCC1
InChIInChI=1S/C17H20FN3OS/c18-14-6-4-13(5-7-14)16-20-15(12-23-16)8-9-19-17(22)21-10-2-1-3-11-21/h4-7,12H,1-3,8-11H2,(H,19,22)
InChIKeyKYWQCSOIWJARPQ-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (CID 118524281) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)N1CCCCC1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is KYWQCSOIWJARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-14-6-4-13(5-7-14)16-20-15(12-23-16)8-9-19-17(22)21-10-2-1-3-11-21/h4-7,12H,1-3,8-11H2,(H,19,22).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 118524281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).