2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole

C22H23NO2S — CID 7967461

IUPAC2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCOc1cccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)c1OC(C)C
InChIInChI=1S/C22H23NO2S/c1-15(2)25-22-18(6-5-7-20(22)24-4)12-13-21-23-19(14-26-21)17-10-8-16(3)9-11-17/h5-15H,1-4H3/b13-12+
InChIKeyCIULJZMCTKIKFV-OUKQBFOZSA-N
MW365.50 g/mol
LogP6.08
Rot. Bonds6

About 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole

2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 7967461) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID7967461
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCOc1cccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)c1OC(C)C
InChIInChI=1S/C22H23NO2S/c1-15(2)25-22-18(6-5-7-20(22)24-4)12-13-21-23-19(14-26-21)17-10-8-16(3)9-11-17/h5-15H,1-4H3/b13-12+
InChIKeyCIULJZMCTKIKFV-OUKQBFOZSA-N
XLogP6.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole with MolForge

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Related Compounds

4-(4-fluorophenyl)-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-1,3-thiazole
CID 6043812
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
4-(3,4-dimethoxyphenyl)-2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 8865200
4-(4-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 4204561
4-(4-methylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazole
CID 6036018
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]prop-2-enamide
CID 24509057
2-[(E)-2-[2-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1,3-benzothiazole
CID 7966883
4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
CID 7967432
2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 6085608
2-[2-(3-bromophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole
CID 4690778
N-[3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347726
4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
CID 4620919

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole (CID 7967461) is 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole is COc1cccc(/C=C/c2nc(-c3ccc(C)cc3)cs2)c1OC(C)C.
What is the InChIKey of 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is CIULJZMCTKIKFV-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-15(2)25-22-18(6-5-7-20(22)24-4)12-13-21-23-19(14-26-21)17-10-8-16(3)9-11-17/h5-15H,1-4H3/b13-12+.
What are the key properties of 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole?
2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 365.50 g/mol, XLogP of 6.08, 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-2-propan-2-yloxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 7967461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).