4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine

C11H17BrN2S — CID 79398667

IUPAC4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
SMILESCCC1CCC(Nc2nc(Br)cs2)C1C
InChIInChI=1S/C11H17BrN2S/c1-3-8-4-5-9(7(8)2)13-11-14-10(12)6-15-11/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyOAARJOBYIUFGFT-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.14
Rot. Bonds3

About 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine

4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine (PubChem CID 79398667) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
PubChem CID79398667
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine
SMILESCCC1CCC(Nc2nc(Br)cs2)C1C
InChIInChI=1S/C11H17BrN2S/c1-3-8-4-5-9(7(8)2)13-11-14-10(12)6-15-11/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyOAARJOBYIUFGFT-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine (CID 79398667) is 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine is CCC1CCC(Nc2nc(Br)cs2)C1C.
What is the InChIKey of 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
The InChIKey is OAARJOBYIUFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-3-8-4-5-9(7(8)2)13-11-14-10(12)6-15-11/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine?
4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine has a molecular weight of 289.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-2-methylcyclopentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).