[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C11H20N2OS — CID 114361329

IUPAC[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCOCc1nc(CCC)c(CN)s1
InChIInChI=1S/C11H20N2OS/c1-3-5-9-10(7-12)15-11(13-9)8-14-6-4-2/h3-8,12H2,1-2H3
InChIKeyKLPGOZAQLRHOPR-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.48
Rot. Bonds7

About [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361329) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361329
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCOCc1nc(CCC)c(CN)s1
InChIInChI=1S/C11H20N2OS/c1-3-5-9-10(7-12)15-11(13-9)8-14-6-4-2/h3-8,12H2,1-2H3
InChIKeyKLPGOZAQLRHOPR-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.48
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-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361240
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361262
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286
[2-(2-morpholin-4-ylethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433206
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366587
N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199
4-ethyl-2-(propoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 104838311
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837

Frequently Asked Questions

What is the IUPAC name of [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361329) is [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCOCc1nc(CCC)c(CN)s1.
What is the InChIKey of [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is KLPGOZAQLRHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-5-9-10(7-12)15-11(13-9)8-14-6-4-2/h3-8,12H2,1-2H3.
What are the key properties of [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 228.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propoxymethyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).