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

C14H10N2OS — CID 53246019

IUPAC2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(C#Cc3ccccc3)sc21
InChIInChI=1S/C14H10N2OS/c17-14-13-11(8-9-15-14)16-12(18-13)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,15,17)
InChIKeyWZLVLKNPYINXHX-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.83
Rot. Bonds

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

2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246019) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246019
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(C#Cc3ccccc3)sc21
InChIInChI=1S/C14H10N2OS/c17-14-13-11(8-9-15-14)16-12(18-13)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,15,17)
InChIKeyWZLVLKNPYINXHX-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-methyl-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645938
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one
CID 23645939
N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 1483672
5-Methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53246020
5-(2-Methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53246141
N-(2-diethylaminoethyl)-2,4-diphenyl-thiazole-5-carboxamide
CID 54583639
N-allyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 3795905
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 7222732
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiazole-5-carboxamide
CID 24125805
N-[3-(diethylamino)propyl]-2,4-diphenyl-thiazole-5-carboxamide
CID 54586543
2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 71712435

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246019) is 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(C#Cc3ccccc3)sc21.
What is the InChIKey of 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is WZLVLKNPYINXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14-13-11(8-9-15-14)16-12(18-13)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,15,17).
What are the key properties of 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 254.31 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).