2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide

C14H12BrNS — CID 2803068

IUPAC2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide
SMILESBr.Cc1ncc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C14H11NS.BrH/c1-10-15-9-14(16-10)13-7-6-11-4-2-3-5-12(11)8-13;/h2-9H,1H3;1H
InChIKeySXBCTQKXFNGUPL-UHFFFAOYSA-N
MW306.23 g/mol
LogP4.85
Rot. Bonds1

About 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide

2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide (PubChem CID 2803068) has the molecular formula C14H12BrNS and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide
PubChem CID2803068
Molecular FormulaC14H12BrNS
Molecular Weight306.23 g/mol
Exact Mass304.99
IUPAC Name2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide
SMILESBr.Cc1ncc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C14H11NS.BrH/c1-10-15-9-14(16-10)13-7-6-11-4-2-3-5-12(11)8-13;/h2-9H,1H3;1H
InChIKeySXBCTQKXFNGUPL-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide?
The IUPAC name of 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide (CID 2803068) is 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide?
The canonical SMILES for 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide is Br.Cc1ncc(-c2ccc3ccccc3c2)s1.
What is the InChIKey of 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide?
The InChIKey is SXBCTQKXFNGUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS.BrH/c1-10-15-9-14(16-10)13-7-6-11-4-2-3-5-12(11)8-13;/h2-9H,1H3;1H.
What are the key properties of 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide?
2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide has a molecular weight of 306.23 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-2-yl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 2803068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).