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

C27H22N2O3S — CID 3487159

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
SMILESCOc1ccc(-c2cc(=Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1OC
InChIInChI=1S/C27H22N2O3S/c1-17-26(18-9-5-4-6-10-18)29-27(33-17)28-21-16-24(32-22-12-8-7-11-20(21)22)19-13-14-23(30-2)25(15-19)31-3/h4-16H,1-3H3
InChIKeyMJECBOOWPHHFER-UHFFFAOYSA-N
MW454.55 g/mol
LogP6.78
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine (PubChem CID 3487159) has the molecular formula C27H22N2O3S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
PubChem CID3487159
Molecular FormulaC27H22N2O3S
Molecular Weight454.55 g/mol
Exact Mass454.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
SMILESCOc1ccc(-c2cc(=Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1OC
InChIInChI=1S/C27H22N2O3S/c1-17-26(18-9-5-4-6-10-18)29-27(33-17)28-21-16-24(32-22-12-8-7-11-20(21)22)19-13-14-23(30-2)25(15-19)31-3/h4-16H,1-3H3
InChIKeyMJECBOOWPHHFER-UHFFFAOYSA-N
XLogP6.78
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026
2-(4-methylsulfanylphenyl)-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-4-imine
CID 41057689
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
methyl 2-[4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]imino]-2-(4-methoxyphenyl)chromen-6-yl]oxyacetate
CID 5236515
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
CID 20998308
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
N-(6-chloropyridazin-3-yl)-4-[[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]amino]benzenesulfonamide
CID 6405555
(NZ)-N-[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]hydroxylamine
CID 7730706
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine
CID 20998891
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine (CID 3487159) is 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine is COc1ccc(-c2cc(=Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
The InChIKey is MJECBOOWPHHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3S/c1-17-26(18-9-5-4-6-10-18)29-27(33-17)28-21-16-24(32-22-12-8-7-11-20(21)22)19-13-14-23(30-2)25(15-19)31-3/h4-16H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine?
2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine has a molecular weight of 454.55 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine is sourced from PubChem (CID 3487159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).