[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C17H22N4OS — CID 24793878

IUPAC[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3snnc3C)C2)cc1C
InChIInChI=1S/C17H22N4OS/c1-11-6-7-14(9-12(11)2)18-15-5-4-8-21(10-15)17(22)16-13(3)19-20-23-16/h6-7,9,15,18H,4-5,8,10H2,1-3H3
InChIKeyWGWBUKWQOYLUHN-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.18
Rot. Bonds3

About [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 24793878) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID24793878
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3snnc3C)C2)cc1C
InChIInChI=1S/C17H22N4OS/c1-11-6-7-14(9-12(11)2)18-15-5-4-8-21(10-15)17(22)16-13(3)19-20-23-16/h6-7,9,15,18H,4-5,8,10H2,1-3H3
InChIKeyWGWBUKWQOYLUHN-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 24793878) is [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1ccc(NC2CCCN(C(=O)c3snnc3C)C2)cc1C.
What is the InChIKey of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is WGWBUKWQOYLUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-6-7-14(9-12(11)2)18-15-5-4-8-21(10-15)17(22)16-13(3)19-20-23-16/h6-7,9,15,18H,4-5,8,10H2,1-3H3.
What are the key properties of [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 330.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylanilino)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 24793878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).