4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide

C19H21BrN2S — CID 45488843

IUPAC4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(C)c(-c2csc(Nc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C19H20N2S.BrH/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16;/h5-11H,1-4H3,(H,20,21);1H
InChIKeyVDTPEWDKHZJJNC-UHFFFAOYSA-N
MW389.36 g/mol
LogP6.37
Rot. Bonds3

About 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide

4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 45488843) has the molecular formula C19H21BrN2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID45488843
Molecular FormulaC19H21BrN2S
Molecular Weight389.36 g/mol
Exact Mass388.06
IUPAC Name4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(C)c(-c2csc(Nc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C19H20N2S.BrH/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16;/h5-11H,1-4H3,(H,20,21);1H
InChIKeyVDTPEWDKHZJJNC-UHFFFAOYSA-N
XLogP6.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 45488843) is 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(C)c(-c2csc(Nc3ccc(C)c(C)c3)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is VDTPEWDKHZJJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S.BrH/c1-12-5-6-14(3)17(9-12)18-11-22-19(21-18)20-16-8-7-13(2)15(4)10-16;/h5-11H,1-4H3,(H,20,21);1H.
What are the key properties of 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 389.36 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 45488843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).