2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol

C8H13BrN2OS — CID 165446471

IUPAC2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1sncc1Br
InChIInChI=1S/C8H13BrN2OS/c1-2-5(3-10)7(12)8-6(9)4-11-13-8/h4-5,7,12H,2-3,10H2,1H3
InChIKeyDEKRJHSGJUTXJE-UHFFFAOYSA-N
MW265.18 g/mol
LogP1.92
Rot. Bonds4

About 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol

2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol (PubChem CID 165446471) has the molecular formula C8H13BrN2OS and a molecular weight of 265.18 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol
PubChem CID165446471
Molecular FormulaC8H13BrN2OS
Molecular Weight265.18 g/mol
Exact Mass263.99
IUPAC Name2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(CN)C(O)c1sncc1Br
InChIInChI=1S/C8H13BrN2OS/c1-2-5(3-10)7(12)8-6(9)4-11-13-8/h4-5,7,12H,2-3,10H2,1H3
InChIKeyDEKRJHSGJUTXJE-UHFFFAOYSA-N
XLogP1.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol 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 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol (CID 165446471) is 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol is CCC(CN)C(O)c1sncc1Br.
What is the InChIKey of 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is DEKRJHSGJUTXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2OS/c1-2-5(3-10)7(12)8-6(9)4-11-13-8/h4-5,7,12H,2-3,10H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol?
2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 265.18 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-bromo-1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 165446471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).