4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide

C15H21N5O2S — CID 53167424

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NCCCN3CCCCC3)n2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-17-14(22-19-11)12-10-23-15(18-12)13(21)16-6-5-9-20-7-3-2-4-8-20/h10H,2-9H2,1H3,(H,16,21)
InChIKeyAKBFYBZAWKMJNH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.11
Rot. Bonds6

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 53167424) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID53167424
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NCCCN3CCCCC3)n2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-17-14(22-19-11)12-10-23-15(18-12)13(21)16-6-5-9-20-7-3-2-4-8-20/h10H,2-9H2,1H3,(H,16,21)
InChIKeyAKBFYBZAWKMJNH-UHFFFAOYSA-N
XLogP2.11
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide (CID 53167424) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide is Cc1noc(-c2csc(C(=O)NCCCN3CCCCC3)n2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is AKBFYBZAWKMJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-17-14(22-19-11)12-10-23-15(18-12)13(21)16-6-5-9-20-7-3-2-4-8-20/h10H,2-9H2,1H3,(H,16,21).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53167424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).