4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide

C12H14BrNOS — CID 15945626

IUPAC4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide
SMILESBr.COc1ccc(-c2nc(C)sc2C)cc1
InChIInChI=1S/C12H13NOS.BrH/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10;/h4-7H,1-3H3;1H
InChIKeyQPZOHNRZTMKKJZ-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.01
Rot. Bonds2

About 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide

4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide (PubChem CID 15945626) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide
PubChem CID15945626
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide
SMILESBr.COc1ccc(-c2nc(C)sc2C)cc1
InChIInChI=1S/C12H13NOS.BrH/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10;/h4-7H,1-3H3;1H
InChIKeyQPZOHNRZTMKKJZ-UHFFFAOYSA-N
XLogP4.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide (CID 15945626) is 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide is Br.COc1ccc(-c2nc(C)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide?
The InChIKey is QPZOHNRZTMKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS.BrH/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10;/h4-7H,1-3H3;1H.
What are the key properties of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide?
4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide has a molecular weight of 300.22 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 15945626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).