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

C9H16N2OS — CID 22843587

IUPAC(1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCCC[C@@](C)(N)[C@H](O)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-3-4-9(2,10)7(12)8-11-5-6-13-8/h5-7,12H,3-4,10H2,1-2H3/t7-,9-/m1/s1
InChIKeyUSLYGZVWDVIVNK-VXNVDRBHSA-N
MW200.31 g/mol
LogP1.69
Rot. Bonds4

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

(1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 22843587) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
PubChem CID22843587
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
SMILESCCC[C@@](C)(N)[C@H](O)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-3-4-9(2,10)7(12)8-11-5-6-13-8/h5-7,12H,3-4,10H2,1-2H3/t7-,9-/m1/s1
InChIKeyUSLYGZVWDVIVNK-VXNVDRBHSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-2-amino-2-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 (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol (CID 22843587) is (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol is CCC[C@@](C)(N)[C@H](O)c1nccs1.
What is the InChIKey of (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is USLYGZVWDVIVNK-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-4-9(2,10)7(12)8-11-5-6-13-8/h5-7,12H,3-4,10H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol?
(1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 22843587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).