2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide

C17H11Br2N3S — CID 90202234

IUPAC2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide
SMILESBr.Brc1ccc2ccc(-c3nc(-c4cnccn4)cs3)cc2c1
InChIInChI=1S/C17H10BrN3S.BrH/c18-14-4-3-11-1-2-12(7-13(11)8-14)17-21-16(10-22-17)15-9-19-5-6-20-15;/h1-10H;1H
InChIKeyRUBBUXUMVUYUQE-UHFFFAOYSA-N
MW449.17 g/mol
LogP5.76
Rot. Bonds2

About 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide

2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide (PubChem CID 90202234) has the molecular formula C17H11Br2N3S and a molecular weight of 449.17 g/mol. Its IUPAC name is 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide
PubChem CID90202234
Molecular FormulaC17H11Br2N3S
Molecular Weight449.17 g/mol
Exact Mass446.90
IUPAC Name2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide
SMILESBr.Brc1ccc2ccc(-c3nc(-c4cnccn4)cs3)cc2c1
InChIInChI=1S/C17H10BrN3S.BrH/c18-14-4-3-11-1-2-12(7-13(11)8-14)17-21-16(10-22-17)15-9-19-5-6-20-15;/h1-10H;1H
InChIKeyRUBBUXUMVUYUQE-UHFFFAOYSA-N
XLogP5.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.17
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-bromonaphthalen-2-yl)pyridine
CID 141295896
4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061949
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
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CID 90202599
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 60528907
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
CID 91360116

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide?
The IUPAC name of 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide (CID 90202234) is 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide?
The canonical SMILES for 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide is Br.Brc1ccc2ccc(-c3nc(-c4cnccn4)cs3)cc2c1.
What is the InChIKey of 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide?
The InChIKey is RUBBUXUMVUYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3S.BrH/c18-14-4-3-11-1-2-12(7-13(11)8-14)17-21-16(10-22-17)15-9-19-5-6-20-15;/h1-10H;1H.
What are the key properties of 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide?
2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide has a molecular weight of 449.17 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromonaphthalen-2-yl)-4-pyrazin-2-yl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 90202234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).