1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide

C13H15BrN2OS — CID 5333115

IUPAC1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
SMILESBr.CC(=O)c1sc(Nc2ccc(C)cc2)nc1C
InChIInChI=1S/C13H14N2OS.BrH/c1-8-4-6-11(7-5-8)15-13-14-9(2)12(17-13)10(3)16;/h4-7H,1-3H3,(H,14,15);1H
InChIKeyZLHFZLMPUTWBBW-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.28
Rot. Bonds3

About 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide

1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide (PubChem CID 5333115) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
PubChem CID5333115
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide
SMILESBr.CC(=O)c1sc(Nc2ccc(C)cc2)nc1C
InChIInChI=1S/C13H14N2OS.BrH/c1-8-4-6-11(7-5-8)15-13-14-9(2)12(17-13)10(3)16;/h4-7H,1-3H3,(H,14,15);1H
InChIKeyZLHFZLMPUTWBBW-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
The IUPAC name of 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide (CID 5333115) is 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide.
What is the SMILES notation for 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
The canonical SMILES for 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide is Br.CC(=O)c1sc(Nc2ccc(C)cc2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
The InChIKey is ZLHFZLMPUTWBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS.BrH/c1-8-4-6-11(7-5-8)15-13-14-9(2)12(17-13)10(3)16;/h4-7H,1-3H3,(H,14,15);1H.
What are the key properties of 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide?
1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide has a molecular weight of 327.25 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-methylanilino)-1,3-thiazol-5-yl]ethanone;hydrobromide is sourced from PubChem (CID 5333115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).