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

C12H20N2OS — CID 62451710

IUPACN-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCCOCc1csc(CNC2CC2)n1
InChIInChI=1S/C12H20N2OS/c1-2-3-6-15-8-11-9-16-12(14-11)7-13-10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyOOILOTCDGLCWEZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.71
Rot. Bonds8

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

N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62451710) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62451710
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCCOCc1csc(CNC2CC2)n1
InChIInChI=1S/C12H20N2OS/c1-2-3-6-15-8-11-9-16-12(14-11)7-13-10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyOOILOTCDGLCWEZ-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.71
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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Related Compounds

N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
N-[[4-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62453588
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
N-[[4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63649082
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55074876
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557
N-[[4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62459251
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62451710) is N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCCCOCc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is OOILOTCDGLCWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-3-6-15-8-11-9-16-12(14-11)7-13-10-4-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 240.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62451710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).