2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole

C21H14N2OS — CID 141116001

IUPAC2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole
SMILESc1c[nH]c(-c2cccc(-c3cc4ccccc4o3)c2-c2nccs2)c1
InChIInChI=1S/C21H14N2OS/c1-2-9-18-14(5-1)13-19(24-18)16-7-3-6-15(17-8-4-10-22-17)20(16)21-23-11-12-25-21/h1-13,22H
InChIKeyMNIYNZMLXQUJHH-UHFFFAOYSA-N
MW342.42 g/mol
LogP6.22
Rot. Bonds3

About 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole

2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole (PubChem CID 141116001) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole
PubChem CID141116001
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole
SMILESc1c[nH]c(-c2cccc(-c3cc4ccccc4o3)c2-c2nccs2)c1
InChIInChI=1S/C21H14N2OS/c1-2-9-18-14(5-1)13-19(24-18)16-7-3-6-15(17-8-4-10-22-17)20(16)21-23-11-12-25-21/h1-13,22H
InChIKeyMNIYNZMLXQUJHH-UHFFFAOYSA-N
XLogP6.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzofuran-2-yl)-2-(1H-indol-3-yl)-2,3-dihydro-1,5-benzothiazepine
CID 145963209
2-(1H-pyrrol-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
CID 153556354
2-(1H-pyrrol-2-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
CID 153556497
5-[(E)-1-[5-[2-fluoro-4-[4-(furan-3-yl)-2-methyl-3-[(1E,3E)-2-(1H-pyrrol-3-yl)penta-1,3-dienyl]pyrrol-1-yl]phenyl]-3-pyridinyl]prop-1-enyl]-1,3-thiazole
CID 163991025
5-(2-cyclopropyl-5-methoxy-1-benzofuran-3-yl)-2-(6-fluoro-1H-indol-3-yl)-1,3-thiazole
CID 176955687
3-(4-Dibenzofuryl)indole
CID 91231611
2-Pyrrolyldibenzofuran
CID 129874063
2-[6-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole
CID 132533196
4-[6-(1,1-difluoroethyl)-1-benzofuran-2-yl]-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 164988902
4-(3-Methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 8964207
N-(1,3-thiazol-2-ylmethyl)dibenzofuran-2-amine
CID 22664058
2-[5-[3-[2-propyl-4-(1,3-thiazol-2-yl)phenoxy]propoxy]-1H-indol-3-yl]acetic acid
CID 67013220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole (CID 141116001) is 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole is c1c[nH]c(-c2cccc(-c3cc4ccccc4o3)c2-c2nccs2)c1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole?
The InChIKey is MNIYNZMLXQUJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c1-2-9-18-14(5-1)13-19(24-18)16-7-3-6-15(17-8-4-10-22-17)20(16)21-23-11-12-25-21/h1-13,22H.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole?
2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole has a molecular weight of 342.42 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-6-(1H-pyrrol-2-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 141116001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).