2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine

C26H20N2O2S — CID 2008026

IUPAC2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
SMILESCOc1ccc(-c2cc(=Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1
InChIInChI=1S/C26H20N2O2S/c1-17-25(19-8-4-3-5-9-19)28-26(31-17)27-22-16-24(18-12-14-20(29-2)15-13-18)30-23-11-7-6-10-21(22)23/h3-16H,1-2H3
InChIKeyFTTWOVCJGJPGPB-UHFFFAOYSA-N
MW424.53 g/mol
LogP6.77
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine

2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine (PubChem CID 2008026) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
PubChem CID2008026
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC Name2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
SMILESCOc1ccc(-c2cc(=Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1
InChIInChI=1S/C26H20N2O2S/c1-17-25(19-8-4-3-5-9-19)28-26(31-17)27-22-16-24(18-12-14-20(29-2)15-13-18)30-23-11-7-6-10-21(22)23/h3-16H,1-2H3
InChIKeyFTTWOVCJGJPGPB-UHFFFAOYSA-N
XLogP6.77
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 3487159
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CID 41057689
methyl 2-[4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]imino]-2-(4-methoxyphenyl)chromen-6-yl]oxyacetate
CID 5236515
(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
CID 20998308
2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
CID 2325646
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
(4E)-2-(4-methoxyphenyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)imino]chromen-6-ol
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1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 20998844
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 4677556
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine (CID 2008026) is 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine is COc1ccc(-c2cc(=Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
The InChIKey is FTTWOVCJGJPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-17-25(19-8-4-3-5-9-19)28-26(31-17)27-22-16-24(18-12-14-20(29-2)15-13-18)30-23-11-7-6-10-21(22)23/h3-16H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine has a molecular weight of 424.53 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine is sourced from PubChem (CID 2008026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).