1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine

C8H11BrN2S — CID 66221746

IUPAC1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESNC1(c2ncc(Br)s2)CCCC1
InChIInChI=1S/C8H11BrN2S/c9-6-5-11-7(12-6)8(10)3-1-2-4-8/h5H,1-4,10H2
InChIKeyHJAARAUEXMRABH-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.63
Rot. Bonds1

About 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine

1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 66221746) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID66221746
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESNC1(c2ncc(Br)s2)CCCC1
InChIInChI=1S/C8H11BrN2S/c9-6-5-11-7(12-6)8(10)3-1-2-4-8/h5H,1-4,10H2
InChIKeyHJAARAUEXMRABH-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine (CID 66221746) is 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine is NC1(c2ncc(Br)s2)CCCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is HJAARAUEXMRABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-6-5-11-7(12-6)8(10)3-1-2-4-8/h5H,1-4,10H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine?
1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 247.16 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 66221746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).