3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine

C14H26N2O2S — CID 102929665

IUPAC3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
SMILESCOCCOCCc1nc(CCCNC(C)C)cs1
InChIInChI=1S/C14H26N2O2S/c1-12(2)15-7-4-5-13-11-19-14(16-13)6-8-18-10-9-17-3/h11-12,15H,4-10H2,1-3H3
InChIKeyHVFBKETXSBVIFH-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.28
Rot. Bonds11

About 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine

3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 102929665) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
PubChem CID102929665
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
SMILESCOCCOCCc1nc(CCCNC(C)C)cs1
InChIInChI=1S/C14H26N2O2S/c1-12(2)15-7-4-5-13-11-19-14(16-13)6-8-18-10-9-17-3/h11-12,15H,4-10H2,1-3H3
InChIKeyHVFBKETXSBVIFH-UHFFFAOYSA-N
XLogP2.28
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.28
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

3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 103151346
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929669
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
CID 102928798
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 102929672
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115716293
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 103406187
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 106815851
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine (CID 102929665) is 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine is COCCOCCc1nc(CCCNC(C)C)cs1.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is HVFBKETXSBVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-12(2)15-7-4-5-13-11-19-14(16-13)6-8-18-10-9-17-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine?
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102929665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).