5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine

C11H11BrN2S — CID 25093341

IUPAC5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(NCCc2ccccc2)s1
InChIInChI=1S/C11H11BrN2S/c12-10-8-14-11(15-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)
InChIKeyGDGHWVAVROMLFA-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.56
Rot. Bonds4

About 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine

5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 25093341) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID25093341
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(NCCc2ccccc2)s1
InChIInChI=1S/C11H11BrN2S/c12-10-8-14-11(15-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)
InChIKeyGDGHWVAVROMLFA-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
CID 156507445
(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 87753715
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
2-(3-phenylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80572360
5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 20785903
acetylene;5-bromo-N-methyl-1,3-thiazol-2-amine;ethene;methoxymethylbenzene;N-methylpropan-1-amine
CID 143489215
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 130631464
N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5308071
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
N-(5-bromo-1,3-thiazol-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 60893054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 25093341) is 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine is Brc1cnc(NCCc2ccccc2)s1.
What is the InChIKey of 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is GDGHWVAVROMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-10-8-14-11(15-10)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14).
What are the key properties of 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine?
5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 283.19 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25093341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).