N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide

C20H21N3OS2 — CID 24791179

IUPACN-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H21N3OS2/c24-20(16-4-7-23(8-5-16)11-15-6-9-25-12-15)22-18-3-1-2-17(10-18)19-13-26-14-21-19/h1-3,6,9-10,12-14,16H,4-5,7-8,11H2,(H,22,24)
InChIKeyHSYNTNSUHFEKPJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.72
Rot. Bonds5

About N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide

N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 24791179) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
PubChem CID24791179
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC NameN-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H21N3OS2/c24-20(16-4-7-23(8-5-16)11-15-6-9-25-12-15)22-18-3-1-2-17(10-18)19-13-26-14-21-19/h1-3,6,9-10,12-14,16H,4-5,7-8,11H2,(H,22,24)
InChIKeyHSYNTNSUHFEKPJ-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide (CID 24791179) is N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HSYNTNSUHFEKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c24-20(16-4-7-23(8-5-16)11-15-6-9-25-12-15)22-18-3-1-2-17(10-18)19-13-26-14-21-19/h1-3,6,9-10,12-14,16H,4-5,7-8,11H2,(H,22,24).
What are the key properties of N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide?
N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-4-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).