[1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol

C8H11BrN2OS — CID 165443274

IUPAC[1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol
SMILESNCC1(C(O)c2sncc2Br)CC1
InChIInChI=1S/C8H11BrN2OS/c9-5-3-11-13-6(5)7(12)8(4-10)1-2-8/h3,7,12H,1-2,4,10H2
InChIKeyLONXIJTYZAQBPO-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.68
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol

[1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol (PubChem CID 165443274) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol
PubChem CID165443274
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol
SMILESNCC1(C(O)c2sncc2Br)CC1
InChIInChI=1S/C8H11BrN2OS/c9-5-3-11-13-6(5)7(12)8(4-10)1-2-8/h3,7,12H,1-2,4,10H2
InChIKeyLONXIJTYZAQBPO-UHFFFAOYSA-N
XLogP1.68
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol 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-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol (CID 165443274) is [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol is NCC1(C(O)c2sncc2Br)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol?
The InChIKey is LONXIJTYZAQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-5-3-11-13-6(5)7(12)8(4-10)1-2-8/h3,7,12H,1-2,4,10H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol?
[1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol has a molecular weight of 263.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-bromo-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 165443274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).