(1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C21H23N3OS — CID 71713324

IUPAC(1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCN1CCC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)CC1
InChIInChI=1S/C21H23N3OS/c1-23-12-9-17(10-13-23)21(25)24-14-11-18-19(15-24)26-20(22-18)8-7-16-5-3-2-4-6-16/h2-6,17H,9-15H2,1H3
InChIKeyLWSXGYHHSXDFIC-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.77
Rot. Bonds1

About (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

(1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71713324) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71713324
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCN1CCC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)CC1
InChIInChI=1S/C21H23N3OS/c1-23-12-9-17(10-13-23)21(25)24-14-11-18-19(15-24)26-20(22-18)8-7-16-5-3-2-4-6-16/h2-6,17H,9-15H2,1H3
InChIKeyLWSXGYHHSXDFIC-UHFFFAOYSA-N
XLogP2.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71713324) is (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is CN1CCC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is LWSXGYHHSXDFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-23-12-9-17(10-13-23)21(25)24-14-11-18-19(15-24)26-20(22-18)8-7-16-5-3-2-4-6-16/h2-6,17H,9-15H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 365.50 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71713324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).