[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol

C10H18N2OS — CID 104841463

IUPAC[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
SMILESCCCNCc1sc(CO)nc1CC
InChIInChI=1S/C10H18N2OS/c1-3-5-11-6-9-8(4-2)12-10(7-13)14-9/h11,13H,3-7H2,1-2H3
InChIKeyGIYWYCGLIZMLOE-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.70
Rot. Bonds6

About [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol

[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol (PubChem CID 104841463) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
PubChem CID104841463
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
SMILESCCCNCc1sc(CO)nc1CC
InChIInChI=1S/C10H18N2OS/c1-3-5-11-6-9-8(4-2)12-10(7-13)14-9/h11,13H,3-7H2,1-2H3
InChIKeyGIYWYCGLIZMLOE-UHFFFAOYSA-N
XLogP1.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-ethyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82429324
N-[[2-(cyclopentylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841548
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-ethyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841471
N-[[2-[(2,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841447
N-[[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82428633
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[4-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841445
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-[(dimethylamino)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432874
N-[[2-[2-(diethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430672

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol (CID 104841463) is [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol is CCCNCc1sc(CO)nc1CC.
What is the InChIKey of [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is GIYWYCGLIZMLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-5-11-6-9-8(4-2)12-10(7-13)14-9/h11,13H,3-7H2,1-2H3.
What are the key properties of [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol?
[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 214.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 104841463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).