N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide

C17H20N4O2S — CID 75463268

IUPACN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2cnns2)cc1
InChIInChI=1S/C17H20N4O2S/c1-13-5-7-14(8-6-13)21(17(23)15-11-18-19-24-15)12-16(22)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyUONRHKKCJHEESW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.51
Rot. Bonds4

About N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide

N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide (PubChem CID 75463268) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
PubChem CID75463268
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2cnns2)cc1
InChIInChI=1S/C17H20N4O2S/c1-13-5-7-14(8-6-13)21(17(23)15-11-18-19-24-15)12-16(22)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyUONRHKKCJHEESW-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide (CID 75463268) is N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)c2cnns2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is UONRHKKCJHEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-5-7-14(8-6-13)21(17(23)15-11-18-19-24-15)12-16(22)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide?
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 75463268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).