N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H22N2OS — CID 104841261

IUPACN-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCOCc1nc(CC)c(CNCC)s1
InChIInChI=1S/C12H22N2OS/c1-4-7-15-9-12-14-10(5-2)11(16-12)8-13-6-3/h13H,4-9H2,1-3H3
InChIKeyLONBYQHZCMSLAJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds8

About N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104841261) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104841261
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCOCc1nc(CC)c(CNCC)s1
InChIInChI=1S/C12H22N2OS/c1-4-7-15-9-12-14-10(5-2)11(16-12)8-13-6-3/h13H,4-9H2,1-3H3
InChIKeyLONBYQHZCMSLAJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273
[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361329
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366587
4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 104838311
[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
CID 104841463
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199
N-[[4-ethyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841225
N-[[4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103476441

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 104841261) is N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCCOCc1nc(CC)c(CNCC)s1.
What is the InChIKey of N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LONBYQHZCMSLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-7-15-9-12-14-10(5-2)11(16-12)8-13-6-3/h13H,4-9H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 242.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104841261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).