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

C10H18N2OS — CID 62450594

IUPACN-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCCOCc1csc(CNCC)n1
InChIInChI=1S/C10H18N2OS/c1-3-5-13-7-9-8-14-10(12-9)6-11-4-2/h8,11H,3-7H2,1-2H3
InChIKeyYIODHQKTNOSMNN-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.18
Rot. Bonds7

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

N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62450594) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62450594
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCCOCc1csc(CNCC)n1
InChIInChI=1S/C10H18N2OS/c1-3-5-13-7-9-8-14-10(12-9)6-11-4-2/h8,11H,3-7H2,1-2H3
InChIKeyYIODHQKTNOSMNN-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 103406187
N-[[4-[(4-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65125120
N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
CID 62458579
methyl 3-[2-(propoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 107039684
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107661200
2-methyl-N-[[4-(pent-4-enoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 79113130

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62450594) is N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCCOCc1csc(CNCC)n1.
What is the InChIKey of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is YIODHQKTNOSMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-5-13-7-9-8-14-10(12-9)6-11-4-2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 214.33 g/mol, XLogP of 2.18, 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]ethanamine is sourced from PubChem (CID 62450594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).