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

C16H8BrFN2S3 — CID 15988521

IUPAC2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1
InChIInChI=1S/C16H8BrFN2S3/c17-14-6-5-13(23-14)12-8-22-16(20-12)15-19-11(7-21-15)9-1-3-10(18)4-2-9/h1-8H
InChIKeyRRXLPKRTLXZVNA-UHFFFAOYSA-N
MW423.36 g/mol
LogP6.56
Rot. Bonds3

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

2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 15988521) has the molecular formula C16H8BrFN2S3 and a molecular weight of 423.36 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID15988521
Molecular FormulaC16H8BrFN2S3
Molecular Weight423.36 g/mol
Exact Mass421.90
IUPAC Name2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1
InChIInChI=1S/C16H8BrFN2S3/c17-14-6-5-13(23-14)12-8-22-16(20-12)15-19-11(7-21-15)9-1-3-10(18)4-2-9/h1-8H
InChIKeyRRXLPKRTLXZVNA-UHFFFAOYSA-N
XLogP6.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 56.56
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-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (CID 15988521) is 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-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-fluorophenyl)-1,3-thiazole?
The InChIKey is RRXLPKRTLXZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrFN2S3/c17-14-6-5-13(23-14)12-8-22-16(20-12)15-19-11(7-21-15)9-1-3-10(18)4-2-9/h1-8H.
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 423.36 g/mol, XLogP of 6.56, 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-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 15988521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).