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

C22H18N2O2S — CID 71713466

IUPAC(3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)c1
InChIInChI=1S/C22H18N2O2S/c1-26-18-9-5-8-17(14-18)22(25)24-13-12-19-20(15-24)27-21(23-19)11-10-16-6-3-2-4-7-16/h2-9,14H,12-13,15H2,1H3
InChIKeyXKEXELQBOPSMOW-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.75
Rot. Bonds2

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

(3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71713466) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71713466
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name(3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)c1
InChIInChI=1S/C22H18N2O2S/c1-26-18-9-5-8-17(14-18)22(25)24-13-12-19-20(15-24)27-21(23-19)11-10-16-6-3-2-4-7-16/h2-9,14H,12-13,15H2,1H3
InChIKeyXKEXELQBOPSMOW-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-methoxyphenyl)-[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

Related Compounds

N-[4-(1,3-benzothiazol-2-yl)benzyl]-3-methoxybenzamide
CID 979776
3-methoxy-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}benzamide
CID 3944789
3-methoxy-2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]benzamide
CID 70683742
N-[4-methoxy-2-[(4-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155526963
N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155546116
N-[4-methoxy-2-[(4-methylphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155566743
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylbenzamide
CID 16314357
2-[1-(3-Methoxybenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 7016179
3-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119117
3-methoxy-N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}benzamide
CID 7202383
1,3-benzodioxol-5-yl[2-(4-methylphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]methanone
CID 7693701
4-Benzothiazol-2-ylpiperidyl 3-ethoxyphenyl ketone
CID 16015878

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71713466) is (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is COc1cccc(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is XKEXELQBOPSMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-26-18-9-5-8-17(14-18)22(25)24-13-12-19-20(15-24)27-21(23-19)11-10-16-6-3-2-4-7-16/h2-9,14H,12-13,15H2,1H3.
What are the key properties of (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
(3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 374.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71713466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).