N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine

C14H24N2OS — CID 114192203

IUPACN-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine
SMILESCNC(CCCCC1CCOCC1)c1cscn1
InChIInChI=1S/C14H24N2OS/c1-15-13(14-10-18-11-16-14)5-3-2-4-12-6-8-17-9-7-12/h10-13,15H,2-9H2,1H3
InChIKeyDCRAVHRESGVVCH-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.39
Rot. Bonds7

About N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine

N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine (PubChem CID 114192203) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine
PubChem CID114192203
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine
SMILESCNC(CCCCC1CCOCC1)c1cscn1
InChIInChI=1S/C14H24N2OS/c1-15-13(14-10-18-11-16-14)5-3-2-4-12-6-8-17-9-7-12/h10-13,15H,2-9H2,1H3
InChIKeyDCRAVHRESGVVCH-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-1-(1,3-thiazol-4-yl)hexan-1-amine
CID 83161915
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 104770536
1-(1,3-thiazol-4-yl)decylhydrazine
CID 105254386
N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105138589
[5-(oxan-4-yl)-1-pyridazin-4-ylpentyl]hydrazine
CID 114193588
N-methyl-2-(oxan-4-yl)-1-pyrazin-2-ylethanamine
CID 62600624
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
CID 64502031
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine?
The IUPAC name of N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine (CID 114192203) is N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine?
The canonical SMILES for N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine is CNC(CCCCC1CCOCC1)c1cscn1.
What is the InChIKey of N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine?
The InChIKey is DCRAVHRESGVVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-15-13(14-10-18-11-16-14)5-3-2-4-12-6-8-17-9-7-12/h10-13,15H,2-9H2,1H3.
What are the key properties of N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine?
N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxan-4-yl)-1-(1,3-thiazol-4-yl)pentan-1-amine is sourced from PubChem (CID 114192203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).