N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide

C16H19N3OS — CID 2336975

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H19N3OS/c20-15(11-19-9-5-2-6-10-19)18-16-17-14(12-21-16)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,17,18,20)
InChIKeyPDVKKPPJQYQTPP-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.23
Rot. Bonds4

About N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide

N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide (PubChem CID 2336975) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
PubChem CID2336975
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H19N3OS/c20-15(11-19-9-5-2-6-10-19)18-16-17-14(12-21-16)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,17,18,20)
InChIKeyPDVKKPPJQYQTPP-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide (CID 2336975) is N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
The InChIKey is PDVKKPPJQYQTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(11-19-9-5-2-6-10-19)18-16-17-14(12-21-16)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,17,18,20).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2336975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).