2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole

C20H19NO2S — CID 9037847

IUPAC2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
SMILESCOc1cc(/C=C/c2nc(C)cs2)ccc1OCc1ccccc1
InChIInChI=1S/C20H19NO2S/c1-15-14-24-20(21-15)11-9-16-8-10-18(19(12-16)22-2)23-13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b11-9+
InChIKeyYTIFAOLOKSDEJD-PKNBQFBNSA-N
MW337.44 g/mol
LogP5.21
Rot. Bonds6

About 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole

2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole (PubChem CID 9037847) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
PubChem CID9037847
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
SMILESCOc1cc(/C=C/c2nc(C)cs2)ccc1OCc1ccccc1
InChIInChI=1S/C20H19NO2S/c1-15-14-24-20(21-15)11-9-16-8-10-18(19(12-16)22-2)23-13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b11-9+
InChIKeyYTIFAOLOKSDEJD-PKNBQFBNSA-N
XLogP5.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037879
2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 5140062
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643
4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1-[2-[2-[4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium
CID 89191654

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole (CID 9037847) is 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole is COc1cc(/C=C/c2nc(C)cs2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole?
The InChIKey is YTIFAOLOKSDEJD-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-15-14-24-20(21-15)11-9-16-8-10-18(19(12-16)22-2)23-13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3/b11-9+.
What are the key properties of 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole?
2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole has a molecular weight of 337.44 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 9037847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).