N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine

C10H18N2OS — CID 112642913

IUPACN-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCOCC(Cc1cncs1)NC
InChIInChI=1S/C10H18N2OS/c1-3-4-13-7-9(11-2)5-10-6-12-8-14-10/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyXLAOFYUVLIVXSP-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.70
Rot. Bonds7

About N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine

N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642913) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642913
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCOCC(Cc1cncs1)NC
InChIInChI=1S/C10H18N2OS/c1-3-4-13-7-9(11-2)5-10-6-12-8-14-10/h6,8-9,11H,3-5,7H2,1-2H3
InChIKeyXLAOFYUVLIVXSP-UHFFFAOYSA-N
XLogP1.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-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-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642913) is N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine is CCCOCC(Cc1cncs1)NC.
What is the InChIKey of N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is XLAOFYUVLIVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-4-13-7-9(11-2)5-10-6-12-8-14-10/h6,8-9,11H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine?
N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).