(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol

C23H16N2O3S — CID 20998308

IUPAC(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
SMILESCOc1ccc(-c2c/c(=N\c3nc4ccccc4s3)c3cc(O)ccc3o2)cc1
InChIInChI=1S/C23H16N2O3S/c1-27-16-9-6-14(7-10-16)21-13-19(17-12-15(26)8-11-20(17)28-21)25-23-24-18-4-2-3-5-22(18)29-23/h2-13,26H,1H3/b25-19+
InChIKeyOKGNQTXEBSARSI-NCELDCMTSA-N
MW400.46 g/mol
LogP5.66
Rot. Bonds3

About (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol

(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol (PubChem CID 20998308) has the molecular formula C23H16N2O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol.

Molecular Properties

Compound Name(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
PubChem CID20998308
Molecular FormulaC23H16N2O3S
Molecular Weight400.46 g/mol
Exact Mass400.09
IUPAC Name(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
SMILESCOc1ccc(-c2c/c(=N\c3nc4ccccc4s3)c3cc(O)ccc3o2)cc1
InChIInChI=1S/C23H16N2O3S/c1-27-16-9-6-14(7-10-16)21-13-19(17-12-15(26)8-11-20(17)28-21)25-23-24-18-4-2-3-5-22(18)29-23/h2-13,26H,1H3/b25-19+
InChIKeyOKGNQTXEBSARSI-NCELDCMTSA-N
XLogP5.66
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4E)-2-(4-methoxyphenyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)imino]chromen-6-ol
CID 20998312
2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026
2-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-3-methylbutanoic acid
CID 23736058
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
methyl 2-[4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]imino]-2-(4-methoxyphenyl)chromen-6-yl]oxyacetate
CID 5236515
2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 3487159
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 20998844
(4E)-4-hydroxyimino-2-isoquinolin-3-ylchromen-6-ol
CID 136503381
2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
CID 2325646
N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine
CID 6303725
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol?
The IUPAC name of (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol (CID 20998308) is (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol.
What is the SMILES notation for (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol?
The canonical SMILES for (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol is COc1ccc(-c2c/c(=N\c3nc4ccccc4s3)c3cc(O)ccc3o2)cc1.
What is the InChIKey of (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol?
The InChIKey is OKGNQTXEBSARSI-NCELDCMTSA-N. The full InChI is InChI=1S/C23H16N2O3S/c1-27-16-9-6-14(7-10-16)21-13-19(17-12-15(26)8-11-20(17)28-21)25-23-24-18-4-2-3-5-22(18)29-23/h2-13,26H,1H3/b25-19+.
What are the key properties of (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol?
(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol has a molecular weight of 400.46 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol is sourced from PubChem (CID 20998308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).