2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole

C17H11BrN2OS3 — CID 46246000

IUPAC2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)c1
InChIInChI=1S/C17H11BrN2OS3/c1-21-11-4-2-3-10(7-11)12-8-22-16(19-12)17-20-13(9-23-17)14-5-6-15(18)24-14/h2-9H,1H3
InChIKeyUBNCOSWXNYTPNQ-UHFFFAOYSA-N
MW435.39 g/mol
LogP6.43
Rot. Bonds4

About 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole

2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 46246000) has the molecular formula C17H11BrN2OS3 and a molecular weight of 435.39 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
PubChem CID46246000
Molecular FormulaC17H11BrN2OS3
Molecular Weight435.39 g/mol
Exact Mass433.92
IUPAC Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)c1
InChIInChI=1S/C17H11BrN2OS3/c1-21-11-4-2-3-10(7-11)12-8-22-16(19-12)17-20-13(9-23-17)14-5-6-15(18)24-14/h2-9H,1H3
InChIKeyUBNCOSWXNYTPNQ-UHFFFAOYSA-N
XLogP6.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.39
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole with MolForge

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Related Compounds

4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 79838979
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
CID 56829048
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
3-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 63540780
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 18270223
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole (CID 46246000) is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)c1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is UBNCOSWXNYTPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2OS3/c1-21-11-4-2-3-10(7-11)12-8-22-16(19-12)17-20-13(9-23-17)14-5-6-15(18)24-14/h2-9H,1H3.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole?
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 435.39 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 46246000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).