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

C15H20N2OS — CID 63020291

IUPACN-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-3-8-16-9-13-4-6-14(7-5-13)18-11-15-10-17-12(2)19-15/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeySKPRHXNYINAIIK-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.53
Rot. Bonds7

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

N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 63020291) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID63020291
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2OS/c1-3-8-16-9-13-4-6-14(7-5-13)18-11-15-10-17-12(2)19-15/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeySKPRHXNYINAIIK-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 ≤ 500276.41
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

N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
2-methoxy-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63057591
N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60880636
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
1-[4-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60776712
(1R)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanol
CID 63364307
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
2-methyl-N-[[5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79793744
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine (CID 63020291) is N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cnc(C)s2)cc1.
What is the InChIKey of N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is SKPRHXNYINAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-8-16-9-13-4-6-14(7-5-13)18-11-15-10-17-12(2)19-15/h4-7,10,16H,3,8-9,11H2,1-2H3.
What are the key properties of N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 276.41 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-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63020291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).