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

C18H16N2OS — CID 71712879

IUPACcyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(C1CC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C18H16N2OS/c21-18(14-7-8-14)20-11-10-15-16(12-20)22-17(19-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2
InChIKeyJMCWYXPRTOXLSG-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.84
Rot. Bonds1

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

cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71712879) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71712879
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Namecyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(C1CC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C18H16N2OS/c21-18(14-7-8-14)20-11-10-15-16(12-20)22-17(19-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2
InChIKeyJMCWYXPRTOXLSG-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71712879) is cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is O=C(C1CC1)N1CCc2nc(C#Cc3ccccc3)sc2C1.
What is the InChIKey of cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is JMCWYXPRTOXLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18(14-7-8-14)20-11-10-15-16(12-20)22-17(19-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2.
What are the key properties of cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 308.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71712879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).