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

C16H8Br2N2S3 — CID 15988527

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1
InChIInChI=1S/C16H8Br2N2S3/c17-10-3-1-9(2-4-10)11-7-21-15(19-11)16-20-12(8-22-16)13-5-6-14(18)23-13/h1-8H
InChIKeyAWIPTLIPUJPOLB-UHFFFAOYSA-N
MW484.26 g/mol
LogP7.19
Rot. Bonds3

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

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole (PubChem CID 15988527) has the molecular formula C16H8Br2N2S3 and a molecular weight of 484.26 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole
PubChem CID15988527
Molecular FormulaC16H8Br2N2S3
Molecular Weight484.26 g/mol
Exact Mass481.82
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1
InChIInChI=1S/C16H8Br2N2S3/c17-10-3-1-9(2-4-10)11-7-21-15(19-11)16-20-12(8-22-16)13-5-6-14(18)23-13/h1-8H
InChIKeyAWIPTLIPUJPOLB-UHFFFAOYSA-N
XLogP7.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.26
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(4-Bromophenyl)-2-thiazoleacetonitrile
CID 2790620
2-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482076
4-(4-Bromo-phenyl)-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-thiazole
CID 12005554
4-(3,4-Difluorophenyl)-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
CID 2741011
4-[4-(3-Bromo-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537241
4-(4-bromophenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazole
CID 155674112
3-(4-Bromophenyl)-2-[4-(2-thienyl)-1,3-thiazol-2-yl]acrylonitrile
CID 5719255
2-[4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 15988517
2-[4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 15988521
2-[4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 15988523
2-[4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-chlorophenyl)-1,3-thiazole
CID 15988525
4,4'-Diphenyl-2,2'-bithiazole
CID 311874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole (CID 15988527) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole is Brc1ccc(-c2csc(-c3nc(-c4ccc(Br)s4)cs3)n2)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole?
The InChIKey is AWIPTLIPUJPOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2N2S3/c17-10-3-1-9(2-4-10)11-7-21-15(19-11)16-20-12(8-22-16)13-5-6-14(18)23-13/h1-8H.
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole has a molecular weight of 484.26 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(5-bromothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 15988527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).