N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine

C11H18N2OS — CID 65328319

IUPACN-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(C2CCCO2)n1
InChIInChI=1S/C11H18N2OS/c1-2-5-12-7-9-8-15-11(13-9)10-4-3-6-14-10/h8,10,12H,2-7H2,1H3
InChIKeyHQXKIUZSCOMYPN-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.49
Rot. Bonds5

About N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine

N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 65328319) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID65328319
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(C2CCCO2)n1
InChIInChI=1S/C11H18N2OS/c1-2-5-12-7-9-8-15-11(13-9)10-4-3-6-14-10/h8,10,12H,2-7H2,1H3
InChIKeyHQXKIUZSCOMYPN-UHFFFAOYSA-N
XLogP2.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.49
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

[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 79669267
N-[[2-(2-methylcyclopropyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65420434
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
CID 86782178
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65351420
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
CID 99583016
5-bromo-2,4-dimethoxy-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline
CID 99701326
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 97333428
4-(dimethoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole
CID 66056930
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 65328319) is N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(C2CCCO2)n1.
What is the InChIKey of N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is HQXKIUZSCOMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-5-12-7-9-8-15-11(13-9)10-4-3-6-14-10/h8,10,12H,2-7H2,1H3.
What are the key properties of N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65328319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).