N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine

C15H27N3OS — CID 79392737

IUPACN-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCOCC2)nc1C(C)C
InChIInChI=1S/C15H27N3OS/c1-4-6-16-11-13-14(12(2)3)17-15(20-13)18-7-5-9-19-10-8-18/h12,16H,4-11H2,1-3H3
InChIKeyRXLIGWYRKQQEDD-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.99
Rot. Bonds6

About N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 79392737) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID79392737
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCOCC2)nc1C(C)C
InChIInChI=1S/C15H27N3OS/c1-4-6-16-11-13-14(12(2)3)17-15(20-13)18-7-5-9-19-10-8-18/h12,16H,4-11H2,1-3H3
InChIKeyRXLIGWYRKQQEDD-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79382475
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395785
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79393677
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 115562432
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62967622
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395687
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79383413
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 79392737) is N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCCOCC2)nc1C(C)C.
What is the InChIKey of N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is RXLIGWYRKQQEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-6-16-11-13-14(12(2)3)17-15(20-13)18-7-5-9-19-10-8-18/h12,16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-oxazepan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 79392737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).