2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol

C9H16N2OS — CID 19820343

IUPAC2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCC(C)CC(N)C(O)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-6(2)5-7(10)8(12)9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3
InChIKeyQGTKXTMFQGPWLL-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol

2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 19820343) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID19820343
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCC(C)CC(N)C(O)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-6(2)5-7(10)8(12)9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3
InChIKeyQGTKXTMFQGPWLL-UHFFFAOYSA-N
XLogP1.55
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-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-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol (CID 19820343) is 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol is CC(C)CC(N)C(O)c1nccs1.
What is the InChIKey of 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is QGTKXTMFQGPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)5-7(10)8(12)9-11-3-4-13-9/h3-4,6-8,12H,5,10H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 19820343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).