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

C15H26N2O2S — CID 116777983

IUPACN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC1(c2ncc(CNCC(C)C)s2)CCOCC1
InChIInChI=1S/C15H26N2O2S/c1-4-19-15(5-7-18-8-6-15)14-17-11-13(20-14)10-16-9-12(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyQZWGONWNANQRHJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.93
Rot. Bonds7

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

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116777983) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID116777983
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOC1(c2ncc(CNCC(C)C)s2)CCOCC1
InChIInChI=1S/C15H26N2O2S/c1-4-19-15(5-7-18-8-6-15)14-17-11-13(20-14)10-16-9-12(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyQZWGONWNANQRHJ-UHFFFAOYSA-N
XLogP2.93
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774380
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116774361
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62754074

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 116777983) is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCOC1(c2ncc(CNCC(C)C)s2)CCOCC1.
What is the InChIKey of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QZWGONWNANQRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-19-15(5-7-18-8-6-15)14-17-11-13(20-14)10-16-9-12(2)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 2.93, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 116777983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).