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

C12H12BrNO2S — CID 116887531

IUPAC2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
SMILESCOc1ccc(Br)cc1-c1nc(C)c(OC)s1
InChIInChI=1S/C12H12BrNO2S/c1-7-12(16-3)17-11(14-7)9-6-8(13)4-5-10(9)15-2/h4-6H,1-3H3
InChIKeyUSANHWRXMURJRS-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.90
Rot. Bonds3

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

2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole (PubChem CID 116887531) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
PubChem CID116887531
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
SMILESCOc1ccc(Br)cc1-c1nc(C)c(OC)s1
InChIInChI=1S/C12H12BrNO2S/c1-7-12(16-3)17-11(14-7)9-6-8(13)4-5-10(9)15-2/h4-6H,1-3H3
InChIKeyUSANHWRXMURJRS-UHFFFAOYSA-N
XLogP3.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887788
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
2-(5-bromo-2-methoxyphenyl)-5-(1-bromopropyl)-1,3,4-thiadiazole
CID 112742087
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
N-[4-[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 39750069
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
5-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole
CID 116887902
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852089

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole (CID 116887531) is 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole is COc1ccc(Br)cc1-c1nc(C)c(OC)s1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The InChIKey is USANHWRXMURJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-7-12(16-3)17-11(14-7)9-6-8(13)4-5-10(9)15-2/h4-6H,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole?
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole has a molecular weight of 314.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole is sourced from PubChem (CID 116887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).