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

C12H22N2OS — CID 82428482

IUPACN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCc1nc(CC)c(CNCCOC)s1
InChIInChI=1S/C12H22N2OS/c1-4-6-12-14-10(5-2)11(16-12)9-13-7-8-15-3/h13H,4-9H2,1-3H3
InChIKeyGBMPVAONOQMECU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.39
Rot. Bonds8

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

N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 82428482) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID82428482
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCc1nc(CC)c(CNCCOC)s1
InChIInChI=1S/C12H22N2OS/c1-4-6-12-14-10(5-2)11(16-12)9-13-7-8-15-3/h13H,4-9H2,1-3H3
InChIKeyGBMPVAONOQMECU-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
N-[[2-(3-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368915
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82432257
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine (CID 82428482) is N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is CCCc1nc(CC)c(CNCCOC)s1.
What is the InChIKey of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is GBMPVAONOQMECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-6-12-14-10(5-2)11(16-12)9-13-7-8-15-3/h13H,4-9H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine?
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 242.39 g/mol, XLogP of 2.39, 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-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82428482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).