3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

C10H18N2O2S — CID 62999936

IUPAC3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCOCCOCCCNCc1nccs1
InChIInChI=1S/C10H18N2O2S/c1-13-6-7-14-5-2-3-11-9-10-12-4-8-15-10/h4,8,11H,2-3,5-7,9H2,1H3
InChIKeyRCEMMUWRIKEFNS-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.29
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (PubChem CID 62999936) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
PubChem CID62999936
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCOCCOCCCNCc1nccs1
InChIInChI=1S/C10H18N2O2S/c1-13-6-7-14-5-2-3-11-9-10-12-4-8-15-10/h4,8,11H,2-3,5-7,9H2,1H3
InChIKeyRCEMMUWRIKEFNS-UHFFFAOYSA-N
XLogP1.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
N-[(4-bromothiophen-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28834395
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (CID 62999936) is 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is COCCOCCCNCc1nccs1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The InChIKey is RCEMMUWRIKEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-13-6-7-14-5-2-3-11-9-10-12-4-8-15-10/h4,8,11H,2-3,5-7,9H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine has a molecular weight of 230.33 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62999936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).