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

C7H9BrN2S — CID 66221319

IUPAC1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2ncc(Br)s2)CCC1
InChIInChI=1S/C7H9BrN2S/c8-5-4-10-6(11-5)7(9)2-1-3-7/h4H,1-3,9H2
InChIKeySEBWHFBRUANQEX-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.24
Rot. Bonds1

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

1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine (PubChem CID 66221319) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine
PubChem CID66221319
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2ncc(Br)s2)CCC1
InChIInChI=1S/C7H9BrN2S/c8-5-4-10-6(11-5)7(9)2-1-3-7/h4H,1-3,9H2
InChIKeySEBWHFBRUANQEX-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-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 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine (CID 66221319) is 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine is NC1(c2ncc(Br)s2)CCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is SEBWHFBRUANQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c8-5-4-10-6(11-5)7(9)2-1-3-7/h4H,1-3,9H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine?
1-(5-bromo-1,3-thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 233.13 g/mol, XLogP of 2.24, 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)cyclobutan-1-amine is sourced from PubChem (CID 66221319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).