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

C23H25N3O2S2 — CID 20974844

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C23H25N3O2S2/c27-21(15-20-7-4-14-29-20)26-12-9-17(10-13-26)22(28)24-11-8-19-16-30-23(25-19)18-5-2-1-3-6-18/h1-7,14,16-17H,8-13,15H2,(H,24,28)
InChIKeyKQXYDWSHMAEFHO-UHFFFAOYSA-N
MW439.61 g/mol
LogP4.01
Rot. Bonds7

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 20974844) has the molecular formula C23H25N3O2S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID20974844
Molecular FormulaC23H25N3O2S2
Molecular Weight439.61 g/mol
Exact Mass439.14
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C23H25N3O2S2/c27-21(15-20-7-4-14-29-20)26-12-9-17(10-13-26)22(28)24-11-8-19-16-30-23(25-19)18-5-2-1-3-6-18/h1-7,14,16-17H,8-13,15H2,(H,24,28)
InChIKeyKQXYDWSHMAEFHO-UHFFFAOYSA-N
XLogP4.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 20974844) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is KQXYDWSHMAEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S2/c27-21(15-20-7-4-14-29-20)26-12-9-17(10-13-26)22(28)24-11-8-19-16-30-23(25-19)18-5-2-1-3-6-18/h1-7,14,16-17H,8-13,15H2,(H,24,28).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 439.61 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 20974844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).