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

C15H20N2OS — CID 63058001

IUPAC2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1OCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-12(2)7-16-8-13-5-3-4-6-15(13)18-9-14-10-19-11-17-14/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyMHEPNXSIRZHFDR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.47
Rot. Bonds7

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

2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63058001) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID63058001
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1OCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-12(2)7-16-8-13-5-3-4-6-15(13)18-9-14-10-19-11-17-14/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyMHEPNXSIRZHFDR-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955351
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63055963
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
5-[2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63057328
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63058170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine (CID 63058001) is 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccccc1OCc1cscn1.
What is the InChIKey of 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is MHEPNXSIRZHFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12(2)7-16-8-13-5-3-4-6-15(13)18-9-14-10-19-11-17-14/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63058001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).