5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine

C11H11BrN2S — CID 82134771

IUPAC5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2nc(N)sc2Br)cc1
InChIInChI=1S/C11H11BrN2S/c1-2-7-3-5-8(6-4-7)9-10(12)15-11(13)14-9/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyUSJLAIAAOBVDPD-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.72
Rot. Bonds2

About 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine

5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 82134771) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID82134771
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2nc(N)sc2Br)cc1
InChIInChI=1S/C11H11BrN2S/c1-2-7-3-5-8(6-4-7)9-10(12)15-11(13)14-9/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyUSJLAIAAOBVDPD-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864528
5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 83720866
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 60707088
4-[[5-ethyl-4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163872
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 166023438
2,3-dibromo-5-(4-ethylphenyl)thiophene
CID 44632438
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 55102196
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
2-bromo-5-(4-ethylphenyl)pyrimidine
CID 88928784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine (CID 82134771) is 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine is CCc1ccc(-c2nc(N)sc2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is USJLAIAAOBVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-2-7-3-5-8(6-4-7)9-10(12)15-11(13)14-9/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 283.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82134771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).