N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine

C13H23N3OS — CID 66256208

IUPACN-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
SMILESCCCNC1COCC1CNCCc1nccs1
InChIInChI=1S/C13H23N3OS/c1-2-4-15-12-10-17-9-11(12)8-14-5-3-13-16-6-7-18-13/h6-7,11-12,14-15H,2-5,8-10H2,1H3
InChIKeyWTXNMDHAAJJTEW-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.29
Rot. Bonds8

About N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine

N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine (PubChem CID 66256208) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
PubChem CID66256208
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
SMILESCCCNC1COCC1CNCCc1nccs1
InChIInChI=1S/C13H23N3OS/c1-2-4-15-12-10-17-9-11(12)8-14-5-3-13-16-6-7-18-13/h6-7,11-12,14-15H,2-5,8-10H2,1H3
InChIKeyWTXNMDHAAJJTEW-UHFFFAOYSA-N
XLogP1.29
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine 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 N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
The IUPAC name of N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine (CID 66256208) is N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine.
What is the SMILES notation for N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
The canonical SMILES for N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine is CCCNC1COCC1CNCCc1nccs1.
What is the InChIKey of N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
The InChIKey is WTXNMDHAAJJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-2-4-15-12-10-17-9-11(12)8-14-5-3-13-16-6-7-18-13/h6-7,11-12,14-15H,2-5,8-10H2,1H3.
What are the key properties of N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66256208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).