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

C17H11BrN2S3 — CID 15988517

IUPAC2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1
InChIInChI=1S/C17H11BrN2S3/c1-10-2-4-11(5-3-10)12-8-21-16(19-12)17-20-13(9-22-17)14-6-7-15(18)23-14/h2-9H,1H3
InChIKeyHOASOXQCQRICMU-UHFFFAOYSA-N
MW419.39 g/mol
LogP6.73
Rot. Bonds3

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

2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 15988517) has the molecular formula C17H11BrN2S3 and a molecular weight of 419.39 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
PubChem CID15988517
Molecular FormulaC17H11BrN2S3
Molecular Weight419.39 g/mol
Exact Mass417.93
IUPAC Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1
InChIInChI=1S/C17H11BrN2S3/c1-10-2-4-11(5-3-10)12-8-21-16(19-12)17-20-13(9-22-17)14-6-7-15(18)23-14/h2-9H,1H3
InChIKeyHOASOXQCQRICMU-UHFFFAOYSA-N
XLogP6.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.39
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole (CID 15988517) is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is HOASOXQCQRICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2S3/c1-10-2-4-11(5-3-10)12-8-21-16(19-12)17-20-13(9-22-17)14-6-7-15(18)23-14/h2-9H,1H3.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole?
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 419.39 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 15988517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).