1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C24H22N2O3S — CID 20998844

IUPAC1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(-c2c/c(=N\c3nc(C)c(C(C)=O)s3)c3c(C)cc(C)cc3o2)cc1
InChIInChI=1S/C24H22N2O3S/c1-13-10-14(2)22-19(26-24-25-15(3)23(30-24)16(4)27)12-20(29-21(22)11-13)17-6-8-18(28-5)9-7-17/h6-12H,1-5H3/b26-19+
InChIKeySJPYEYOIEBEOEY-LGUFXXKBSA-N
MW418.52 g/mol
LogP5.93
Rot. Bonds4

About 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 20998844) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID20998844
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccc(-c2c/c(=N\c3nc(C)c(C(C)=O)s3)c3c(C)cc(C)cc3o2)cc1
InChIInChI=1S/C24H22N2O3S/c1-13-10-14(2)22-19(26-24-25-15(3)23(30-24)16(4)27)12-20(29-21(22)11-13)17-6-8-18(28-5)9-7-17/h6-12H,1-5H3/b26-19+
InChIKeySJPYEYOIEBEOEY-LGUFXXKBSA-N
XLogP5.93
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 20998835
(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
2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
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
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)-2-(4-methoxyphenyl)-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)imino]chromen-6-ol
CID 20998312
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 20998844) is 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone is COc1ccc(-c2c/c(=N\c3nc(C)c(C(C)=O)s3)c3c(C)cc(C)cc3o2)cc1.
What is the InChIKey of 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is SJPYEYOIEBEOEY-LGUFXXKBSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-13-10-14(2)22-19(26-24-25-15(3)23(30-24)16(4)27)12-20(29-21(22)11-13)17-6-8-18(28-5)9-7-17/h6-12H,1-5H3/b26-19+.
What are the key properties of 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 418.52 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 20998844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).