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

C15H20N2OS — CID 63323303

IUPACN-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-3-6-16-8-13-7-12(2)4-5-15(13)18-9-14-10-19-11-17-14/h4-5,7,10-11,16H,3,6,8-9H2,1-2H3
InChIKeyJSIDQTSRTMCJIR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.53
Rot. Bonds7

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

N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63323303) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID63323303
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-3-6-16-8-13-7-12(2)4-5-15(13)18-9-14-10-19-11-17-14/h4-5,7,10-11,16H,3,6,8-9H2,1-2H3
InChIKeyJSIDQTSRTMCJIR-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.53
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

2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326599
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[(5-methyl-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 63323347
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63485880
N-[[5-nitro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60890172
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine (CID 63323303) is N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(C)ccc1OCc1cscn1.
What is the InChIKey of N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is JSIDQTSRTMCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-6-16-8-13-7-12(2)4-5-15(13)18-9-14-10-19-11-17-14/h4-5,7,10-11,16H,3,6,8-9H2,1-2H3.
What are the key properties of N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63323303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).