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

C14H27N3OS — CID 81067851

IUPACN-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN(C)CCOC(C)C)cs1
InChIInChI=1S/C14H27N3OS/c1-5-6-15-9-14-16-13(11-19-14)10-17(4)7-8-18-12(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeySFOUIUQZYLGPRJ-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.50
Rot. Bonds10

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

N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 81067851) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID81067851
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN(C)CCOC(C)C)cs1
InChIInChI=1S/C14H27N3OS/c1-5-6-15-9-14-16-13(11-19-14)10-17(4)7-8-18-12(2)3/h11-12,15H,5-10H2,1-4H3
InChIKeySFOUIUQZYLGPRJ-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 81067851) is N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(CN(C)CCOC(C)C)cs1.
What is the InChIKey of N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is SFOUIUQZYLGPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-6-15-9-14-16-13(11-19-14)10-17(4)7-8-18-12(2)3/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 81067851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).