2-(4-methylphenyl)-1,3-thiazole;hydrobromide

C10H10BrNS — CID 42957697

IUPAC2-(4-methylphenyl)-1,3-thiazole;hydrobromide
SMILESBr.Cc1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H9NS.BrH/c1-8-2-4-9(5-3-8)10-11-6-7-12-10;/h2-7H,1H3;1H
InChIKeyAABKORLIWHRTPP-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.70
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-thiazole;hydrobromide

2-(4-methylphenyl)-1,3-thiazole;hydrobromide (PubChem CID 42957697) has the molecular formula C10H10BrNS and a molecular weight of 256.17 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-thiazole;hydrobromide
PubChem CID42957697
Molecular FormulaC10H10BrNS
Molecular Weight256.17 g/mol
Exact Mass254.97
IUPAC Name2-(4-methylphenyl)-1,3-thiazole;hydrobromide
SMILESBr.Cc1ccc(-c2nccs2)cc1
InChIInChI=1S/C10H9NS.BrH/c1-8-2-4-9(5-3-8)10-11-6-7-12-10;/h2-7H,1H3;1H
InChIKeyAABKORLIWHRTPP-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 2-(4-methylphenyl)-1,3-thiazole;hydrobromide (CID 42957697) is 2-(4-methylphenyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 2-(4-methylphenyl)-1,3-thiazole;hydrobromide is Br.Cc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-thiazole;hydrobromide?
The InChIKey is AABKORLIWHRTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.BrH/c1-8-2-4-9(5-3-8)10-11-6-7-12-10;/h2-7H,1H3;1H.
What are the key properties of 2-(4-methylphenyl)-1,3-thiazole;hydrobromide?
2-(4-methylphenyl)-1,3-thiazole;hydrobromide has a molecular weight of 256.17 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 42957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).