2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole

C20H15BrN2O2S2 — CID 46339236

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1OC
InChIInChI=1S/C20H15BrN2O2S2/c1-24-17-8-5-13(9-18(17)25-2)16-11-27-20(23-16)19-22-15(10-26-19)12-3-6-14(21)7-4-12/h3-11H,1-2H3
InChIKeyUGUAMZHORXOQKI-UHFFFAOYSA-N
MW459.39 g/mol
LogP6.38
Rot. Bonds5

About 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole (PubChem CID 46339236) has the molecular formula C20H15BrN2O2S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
PubChem CID46339236
Molecular FormulaC20H15BrN2O2S2
Molecular Weight459.39 g/mol
Exact Mass457.98
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1OC
InChIInChI=1S/C20H15BrN2O2S2/c1-24-17-8-5-13(9-18(17)25-2)16-11-27-20(23-16)19-22-15(10-26-19)12-3-6-14(21)7-4-12/h3-11H,1-2H3
InChIKeyUGUAMZHORXOQKI-UHFFFAOYSA-N
XLogP6.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole with MolForge

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
3-(4-bromophenyl)-5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,2,4-oxadiazole
CID 50838653
2-amino-4-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;dihydrochloride
CID 18707378
N-[(4-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 75195114
1-(4-bromophenyl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol
CID 135653135
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 1184402
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole (CID 46339236) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1OC.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
The InChIKey is UGUAMZHORXOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2S2/c1-24-17-8-5-13(9-18(17)25-2)16-11-27-20(23-16)19-22-15(10-26-19)12-3-6-14(21)7-4-12/h3-11H,1-2H3.
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 459.39 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 46339236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).