2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole

C19H18BrNO3S — CID 112769638

IUPAC2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3cc(Br)ccc3OC)sc2C)c(OC)c1
InChIInChI=1S/C19H18BrNO3S/c1-11-18(14-7-6-13(22-2)10-17(14)24-4)21-19(25-11)15-9-12(20)5-8-16(15)23-3/h5-10H,1-4H3
InChIKeyIJVVYTPHECLHCO-UHFFFAOYSA-N
MW420.33 g/mol
LogP5.57
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole

2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 112769638) has the molecular formula C19H18BrNO3S and a molecular weight of 420.33 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID112769638
Molecular FormulaC19H18BrNO3S
Molecular Weight420.33 g/mol
Exact Mass419.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3cc(Br)ccc3OC)sc2C)c(OC)c1
InChIInChI=1S/C19H18BrNO3S/c1-11-18(14-7-6-13(22-2)10-17(14)24-4)21-19(25-11)15-9-12(20)5-8-16(15)23-3/h5-10H,1-4H3
InChIKeyIJVVYTPHECLHCO-UHFFFAOYSA-N
XLogP5.57
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.33
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylaniline
CID 112798184
4-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-methyl-1,3-thiazole
CID 112769637
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
N-[4-[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 39750069
[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887788
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
[4-bromo-2-(2,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 84608613
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole (CID 112769638) is 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(-c3cc(Br)ccc3OC)sc2C)c(OC)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is IJVVYTPHECLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3S/c1-11-18(14-7-6-13(22-2)10-17(14)24-4)21-19(25-11)15-9-12(20)5-8-16(15)23-3/h5-10H,1-4H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole?
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 420.33 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 112769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).