1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

C17H20ClN5O2S — CID 53201176

IUPAC1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(=O)Nc1nsc(N2CCCC(C(=O)NCc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H20ClN5O2S/c1-11(24)20-16-21-17(26-22-16)23-8-4-6-13(10-23)15(25)19-9-12-5-2-3-7-14(12)18/h2-3,5,7,13H,4,6,8-10H2,1H3,(H,19,25)(H,20,22,24)
InChIKeyZAPRXUDNEMTDPZ-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 53201176) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID53201176
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESCC(=O)Nc1nsc(N2CCCC(C(=O)NCc3ccccc3Cl)C2)n1
InChIInChI=1S/C17H20ClN5O2S/c1-11(24)20-16-21-17(26-22-16)23-8-4-6-13(10-23)15(25)19-9-12-5-2-3-7-14(12)18/h2-3,5,7,13H,4,6,8-10H2,1H3,(H,19,25)(H,20,22,24)
InChIKeyZAPRXUDNEMTDPZ-UHFFFAOYSA-N
XLogP2.68
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (CID 53201176) is 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is CC(=O)Nc1nsc(N2CCCC(C(=O)NCc3ccccc3Cl)C2)n1.
What is the InChIKey of 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZAPRXUDNEMTDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-11(24)20-16-21-17(26-22-16)23-8-4-6-13(10-23)15(25)19-9-12-5-2-3-7-14(12)18/h2-3,5,7,13H,4,6,8-10H2,1H3,(H,19,25)(H,20,22,24).
What are the key properties of 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamido-1,2,4-thiadiazol-5-yl)-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53201176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).