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

C14H24N2O2S — CID 116774361

IUPACN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2(OCC)CCOCC2)s1
InChIInChI=1S/C14H24N2O2S/c1-3-7-15-10-12-11-16-13(19-12)14(18-4-2)5-8-17-9-6-14/h11,15H,3-10H2,1-2H3
InChIKeyCWBWBLROEAYMMF-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.68
Rot. Bonds7

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

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 116774361) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID116774361
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2(OCC)CCOCC2)s1
InChIInChI=1S/C14H24N2O2S/c1-3-7-15-10-12-11-16-13(19-12)14(18-4-2)5-8-17-9-6-14/h11,15H,3-10H2,1-2H3
InChIKeyCWBWBLROEAYMMF-UHFFFAOYSA-N
XLogP2.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.68
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

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774380
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107925530
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 116774361) is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2(OCC)CCOCC2)s1.
What is the InChIKey of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is CWBWBLROEAYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-7-15-10-12-11-16-13(19-12)14(18-4-2)5-8-17-9-6-14/h11,15H,3-10H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 284.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 116774361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).