2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol

C9H15ClN2OS — CID 107124478

IUPAC2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-5(2)3-6(11)8(13)9-12-4-7(10)14-9/h4-6,8,13H,3,11H2,1-2H3
InChIKeyYYDXXWXVKLXRRX-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.20
Rot. Bonds4

About 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol

2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol (PubChem CID 107124478) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
PubChem CID107124478
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-5(2)3-6(11)8(13)9-12-4-7(10)14-9/h4-6,8,13H,3,11H2,1-2H3
InChIKeyYYDXXWXVKLXRRX-UHFFFAOYSA-N
XLogP2.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-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-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol (CID 107124478) is 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol is CC(C)CC(N)C(O)c1ncc(Cl)s1.
What is the InChIKey of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
The InChIKey is YYDXXWXVKLXRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-5(2)3-6(11)8(13)9-12-4-7(10)14-9/h4-6,8,13H,3,11H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol?
2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol has a molecular weight of 234.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-1,3-thiazol-2-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 107124478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).