(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine

C22H20N2O3S — CID 20998887

IUPAC(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\c3nccs3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C22H20N2O3S/c1-13-9-14(2)21-16(24-22-23-7-8-28-22)12-18(27-20(21)10-13)15-5-6-17(25-3)19(11-15)26-4/h5-12H,1-4H3/b24-16+
InChIKeyFAZFFXJAXDTXHV-LFVJCYFKSA-N
MW392.48 g/mol
LogP5.42
Rot. Bonds4

About (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine

(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine (PubChem CID 20998887) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine.

Molecular Properties

Compound Name(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
PubChem CID20998887
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\c3nccs3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C22H20N2O3S/c1-13-9-14(2)21-16(24-22-23-7-8-28-22)12-18(27-20(21)10-13)15-5-6-17(25-3)19(11-15)26-4/h5-12H,1-4H3/b24-16+
InChIKeyFAZFFXJAXDTXHV-LFVJCYFKSA-N
XLogP5.42
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine
CID 20998891
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
1-[2-[(E)-[2-(4-methoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 20998844
4-[(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5,7-dimethylchromen-2-yl]-2-methoxyphenol
CID 135752356
4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135684360

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine?
The IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine (CID 20998887) is (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine.
What is the SMILES notation for (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine?
The canonical SMILES for (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine is COc1ccc(-c2c/c(=N\c3nccs3)c3c(C)cc(C)cc3o2)cc1OC.
What is the InChIKey of (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine?
The InChIKey is FAZFFXJAXDTXHV-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-13-9-14(2)21-16(24-22-23-7-8-28-22)12-18(27-20(21)10-13)15-5-6-17(25-3)19(11-15)26-4/h5-12H,1-4H3/b24-16+.
What are the key properties of (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine?
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine has a molecular weight of 392.48 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine is sourced from PubChem (CID 20998887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).