2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole

C24H17ClN2O2S — CID 19092761

IUPAC2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole
SMILESClCc1ccccc1COc1ccc2oc(-c3nc(-c4ccccn4)cs3)cc2c1
InChIInChI=1S/C24H17ClN2O2S/c25-13-16-5-1-2-6-17(16)14-28-19-8-9-22-18(11-19)12-23(29-22)24-27-21(15-30-24)20-7-3-4-10-26-20/h1-12,15H,13-14H2
InChIKeyPHJAOOYXXZDHRX-UHFFFAOYSA-N
MW432.93 g/mol
LogP6.94
Rot. Bonds6

About 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole

2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole (PubChem CID 19092761) has the molecular formula C24H17ClN2O2S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole
PubChem CID19092761
Molecular FormulaC24H17ClN2O2S
Molecular Weight432.93 g/mol
Exact Mass432.07
IUPAC Name2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole
SMILESClCc1ccccc1COc1ccc2oc(-c3nc(-c4ccccn4)cs3)cc2c1
InChIInChI=1S/C24H17ClN2O2S/c25-13-16-5-1-2-6-17(16)14-28-19-8-9-22-18(11-19)12-23(29-22)24-27-21(15-30-24)20-7-3-4-10-26-20/h1-12,15H,13-14H2
InChIKeyPHJAOOYXXZDHRX-UHFFFAOYSA-N
XLogP6.94
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.93
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-cyclopropyl-1,3-thiazole
CID 19092788
2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-hexyl-1,3-thiazole
CID 19092711
4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole
CID 19092798
2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 19092740
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]methanol
CID 54324997
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
methyl 2-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoate
CID 22922169
4-(5-chloro-1-benzofuran-2-yl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061944
3-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propoxy]aniline
CID 94778254
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole (CID 19092761) is 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole is ClCc1ccccc1COc1ccc2oc(-c3nc(-c4ccccn4)cs3)cc2c1.
What is the InChIKey of 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is PHJAOOYXXZDHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2S/c25-13-16-5-1-2-6-17(16)14-28-19-8-9-22-18(11-19)12-23(29-22)24-27-21(15-30-24)20-7-3-4-10-26-20/h1-12,15H,13-14H2.
What are the key properties of 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole?
2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 432.93 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(chloromethyl)phenyl]methoxy]-1-benzofuran-2-yl]-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 19092761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).