2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole

C22H18N2OS — CID 46879640

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole
SMILESCc1cc(-c2ccc3nc(C4COc5ccccc5C4)sc3c2)ccn1
InChIInChI=1S/C22H18N2OS/c1-14-10-16(8-9-23-14)15-6-7-19-21(12-15)26-22(24-19)18-11-17-4-2-3-5-20(17)25-13-18/h2-10,12,18H,11,13H2,1H3
InChIKeyFYXCDRPEXQWYKJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.39
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole

2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole (PubChem CID 46879640) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole
PubChem CID46879640
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole
SMILESCc1cc(-c2ccc3nc(C4COc5ccccc5C4)sc3c2)ccn1
InChIInChI=1S/C22H18N2OS/c1-14-10-16(8-9-23-14)15-6-7-19-21(12-15)26-22(24-19)18-11-17-4-2-3-5-20(17)25-13-18/h2-10,12,18H,11,13H2,1H3
InChIKeyFYXCDRPEXQWYKJ-UHFFFAOYSA-N
XLogP5.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole 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 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole (CID 46879640) is 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole is Cc1cc(-c2ccc3nc(C4COc5ccccc5C4)sc3c2)ccn1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole?
The InChIKey is FYXCDRPEXQWYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-14-10-16(8-9-23-14)15-6-7-19-21(12-15)26-22(24-19)18-11-17-4-2-3-5-20(17)25-13-18/h2-10,12,18H,11,13H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole?
2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole has a molecular weight of 358.47 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-6-(2-methyl-4-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 46879640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).