4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine

C11H20N2O2S — CID 115600125

IUPAC4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCOCCOCCCCNCc1cscn1
InChIInChI=1S/C11H20N2O2S/c1-14-6-7-15-5-3-2-4-12-8-11-9-16-10-13-11/h9-10,12H,2-8H2,1H3
InChIKeyJNCNXGVANYWBGR-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.68
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine

4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 115600125) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID115600125
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCOCCOCCCCNCc1cscn1
InChIInChI=1S/C11H20N2O2S/c1-14-6-7-15-5-3-2-4-12-8-11-9-16-10-13-11/h9-10,12H,2-8H2,1H3
InChIKeyJNCNXGVANYWBGR-UHFFFAOYSA-N
XLogP1.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.68
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

4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 115879211
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
CID 79478623
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115897809
N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115608422
4-(6-methoxyhexyl)-1,3-thiazole
CID 67276018
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 115600125) is 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is COCCOCCCCNCc1cscn1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is JNCNXGVANYWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-14-6-7-15-5-3-2-4-12-8-11-9-16-10-13-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 244.36 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 115600125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).