2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C17H20N4O2S — CID 39005031

IUPAC2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccccc2N2CCCCC2)cs1
InChIInChI=1S/C17H20N4O2S/c1-12(22)18-17-20-14(11-24-17)16(23)19-13-7-3-4-8-15(13)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22)
InChIKeyXPDNPGNUQDMFOW-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.34
Rot. Bonds4

About 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 39005031) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID39005031
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccccc2N2CCCCC2)cs1
InChIInChI=1S/C17H20N4O2S/c1-12(22)18-17-20-14(11-24-17)16(23)19-13-7-3-4-8-15(13)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22)
InChIKeyXPDNPGNUQDMFOW-UHFFFAOYSA-N
XLogP3.34
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 39005031) is 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccccc2N2CCCCC2)cs1.
What is the InChIKey of 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XPDNPGNUQDMFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(22)18-17-20-14(11-24-17)16(23)19-13-7-3-4-8-15(13)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22).
What are the key properties of 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39005031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).