3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole

C18H16BrNO3S — CID 91564289

IUPAC3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1cc(OC)c(OC)c(-c2cc(-c3ccc(Br)cc3)ns2)c1
InChIInChI=1S/C18H16BrNO3S/c1-21-13-8-14(18(23-3)16(9-13)22-2)17-10-15(20-24-17)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyZPRCZOZWRZQOCL-UHFFFAOYSA-N
MW406.30 g/mol
LogP5.27
Rot. Bonds5

About 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole

3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole (PubChem CID 91564289) has the molecular formula C18H16BrNO3S and a molecular weight of 406.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole
PubChem CID91564289
Molecular FormulaC18H16BrNO3S
Molecular Weight406.30 g/mol
Exact Mass405.00
IUPAC Name3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole
SMILESCOc1cc(OC)c(OC)c(-c2cc(-c3ccc(Br)cc3)ns2)c1
InChIInChI=1S/C18H16BrNO3S/c1-21-13-8-14(18(23-3)16(9-13)22-2)17-10-15(20-24-17)11-4-6-12(19)7-5-11/h4-10H,1-3H3
InChIKeyZPRCZOZWRZQOCL-UHFFFAOYSA-N
XLogP5.27
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.30
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
CID 91182234
5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenol
CID 136601674
3-[4-(1-methyltetrazol-5-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 90771729
5-(3,4-dimethoxyphenyl)-3-(2,3,4,5-tetramethoxyphenyl)-1,2-thiazole
CID 91165486
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
CID 91487792
3-pyridin-3-yl-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91111160
2-(4-bromophenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)thiophene
CID 86090832
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
ethyl-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-3-yl]phenoxy]phosphinic acid
CID 90769198

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole?
The IUPAC name of 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole (CID 91564289) is 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole is COc1cc(OC)c(OC)c(-c2cc(-c3ccc(Br)cc3)ns2)c1.
What is the InChIKey of 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole?
The InChIKey is ZPRCZOZWRZQOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3S/c1-21-13-8-14(18(23-3)16(9-13)22-2)17-10-15(20-24-17)11-4-6-12(19)7-5-11/h4-10H,1-3H3.
What are the key properties of 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole?
3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole has a molecular weight of 406.30 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2,3,5-trimethoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 91564289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).