3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride

C12H13ClN2OS — CID 162323507

IUPAC3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ncc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H12N2OS.ClH/c13-10-5-9(10)12-14-6-11(16-12)7-2-1-3-8(15)4-7;/h1-4,6,9-10,15H,5,13H2;1H/t9-,10-;/m0./s1
InChIKeyFHBIBWZHMLZNOF-IYPAPVHQSA-N
MW268.77 g/mol
LogP2.75
Rot. Bonds2

About 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride

3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride (PubChem CID 162323507) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride
PubChem CID162323507
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ncc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H12N2OS.ClH/c13-10-5-9(10)12-14-6-11(16-12)7-2-1-3-8(15)4-7;/h1-4,6,9-10,15H,5,13H2;1H/t9-,10-;/m0./s1
InChIKeyFHBIBWZHMLZNOF-IYPAPVHQSA-N
XLogP2.75
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride 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 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride?
The IUPAC name of 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride (CID 162323507) is 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride?
The canonical SMILES for 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride is Cl.N[C@H]1C[C@@H]1c1ncc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride?
The InChIKey is FHBIBWZHMLZNOF-IYPAPVHQSA-N. The full InChI is InChI=1S/C12H12N2OS.ClH/c13-10-5-9(10)12-14-6-11(16-12)7-2-1-3-8(15)4-7;/h1-4,6,9-10,15H,5,13H2;1H/t9-,10-;/m0./s1.
What are the key properties of 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride?
3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride is sourced from PubChem (CID 162323507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).