3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one

C9H14N2O2S — CID 70926188

IUPAC3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCNCCCO)c1nccs1
InChIInChI=1S/C9H14N2O2S/c12-6-1-3-10-4-2-8(13)9-11-5-7-14-9/h5,7,10,12H,1-4,6H2
InChIKeyDDAGDPARAJSNLC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.69
Rot. Bonds7

About 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one

3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 70926188) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID70926188
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCNCCCO)c1nccs1
InChIInChI=1S/C9H14N2O2S/c12-6-1-3-10-4-2-8(13)9-11-5-7-14-9/h5,7,10,12H,1-4,6H2
InChIKeyDDAGDPARAJSNLC-UHFFFAOYSA-N
XLogP0.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one 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-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one (CID 70926188) is 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one is O=C(CCNCCCO)c1nccs1.
What is the InChIKey of 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is DDAGDPARAJSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-6-1-3-10-4-2-8(13)9-11-5-7-14-9/h5,7,10,12H,1-4,6H2.
What are the key properties of 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one?
3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 214.29 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 70926188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).