N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

C11H18N2OS — CID 62450778

IUPACN-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCOCc1csc(CNC2CC2)n1
InChIInChI=1S/C11H18N2OS/c1-2-5-14-7-10-8-15-11(13-10)6-12-9-3-4-9/h8-9,12H,2-7H2,1H3
InChIKeyBEJHMHAXEBRTBI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.32
Rot. Bonds7

About N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62450778) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62450778
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCOCc1csc(CNC2CC2)n1
InChIInChI=1S/C11H18N2OS/c1-2-5-14-7-10-8-15-11(13-10)6-12-9-3-4-9/h8-9,12H,2-7H2,1H3
InChIKeyBEJHMHAXEBRTBI-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62450778) is N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCCOCc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is BEJHMHAXEBRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-5-14-7-10-8-15-11(13-10)6-12-9-3-4-9/h8-9,12H,2-7H2,1H3.
What are the key properties of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 226.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62450778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).