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

C13H22N2OS — CID 113472585

IUPACN-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCOC1c1csc(C)n1
InChIInChI=1S/C13H22N2OS/c1-3-6-14-8-11-5-4-7-16-13(11)12-9-17-10(2)15-12/h9,11,13-14H,3-8H2,1-2H3
InChIKeyGJTMAYRQENWFRW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.92
Rot. Bonds5

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

N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 113472585) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine
PubChem CID113472585
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCOC1c1csc(C)n1
InChIInChI=1S/C13H22N2OS/c1-3-6-14-8-11-5-4-7-16-13(11)12-9-17-10(2)15-12/h9,11,13-14H,3-8H2,1-2H3
InChIKeyGJTMAYRQENWFRW-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.92
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-[(2-thiophen-2-yloxan-3-yl)methyl]propan-1-amine
CID 79365098
N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 104772225
N-[[2-(2,4-dimethylphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365822
N-[[2-(4,5-dibromothiophen-2-yl)oxan-3-yl]methyl]propan-1-amine
CID 102845700
N-[[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79370721
N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine
CID 79368820
N-[[2-(4-bromo-2-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365554
N-[[2-(4-bromo-3-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 81440274
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028146
N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
CID 104772230
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
N-[[2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]methyl]propan-1-amine
CID 83095108

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine (CID 113472585) is N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine is CCCNCC1CCCOC1c1csc(C)n1.
What is the InChIKey of N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is GJTMAYRQENWFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-6-14-8-11-5-4-7-16-13(11)12-9-17-10(2)15-12/h9,11,13-14H,3-8H2,1-2H3.
What are the key properties of N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine?
N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyl-1,3-thiazol-4-yl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 113472585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).