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

C13H22N2OS — CID 55150130

IUPACN-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cscn2)CCCOC1
InChIInChI=1S/C13H22N2OS/c1-2-5-14-9-13(4-3-6-16-10-13)7-12-8-17-11-15-12/h8,11,14H,2-7,9-10H2,1H3
InChIKeyIIEHEIULEWCDQV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.48
Rot. Bonds6

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

N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 55150130) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
PubChem CID55150130
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cscn2)CCCOC1
InChIInChI=1S/C13H22N2OS/c1-2-5-14-9-13(4-3-6-16-10-13)7-12-8-17-11-15-12/h8,11,14H,2-7,9-10H2,1H3
InChIKeyIIEHEIULEWCDQV-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.48
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

3-[2-Fluoro-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]morpholine
CID 116011275
Ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate
CID 86184595
ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine
CID 144598201
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 55107041
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 55107183
N-(2-methoxyethyl)-4-methyl-2-(1,3-thiazol-4-ylmethyl)pentan-1-amine
CID 55111391
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 55130252
2-methoxy-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 55131989
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 55241460
N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 55241652
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62717709
2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62717727

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine (CID 55150130) is N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2cscn2)CCCOC1.
What is the InChIKey of N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is IIEHEIULEWCDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-5-14-9-13(4-3-6-16-10-13)7-12-8-17-11-15-12/h8,11,14H,2-7,9-10H2,1H3.
What are the key properties of N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine?
N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55150130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).