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

C16H22N2OS — CID 63326599

IUPAC2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cscn2)c(CNC(C)(C)C)c1
InChIInChI=1S/C16H22N2OS/c1-12-5-6-15(19-9-14-10-20-11-17-14)13(7-12)8-18-16(2,3)4/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyINBWIKJGLXFISF-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.92
Rot. Bonds5

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

2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 63326599) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID63326599
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cscn2)c(CNC(C)(C)C)c1
InChIInChI=1S/C16H22N2OS/c1-12-5-6-15(19-9-14-10-20-11-17-14)13(7-12)8-18-16(2,3)4/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyINBWIKJGLXFISF-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63327109
N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63323303
2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 82867095
4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
CID 63326937
2-methyl-N-[[5-methyl-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141510
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
N-[[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 60881078
2-methyl-N-[[5-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]propan-2-amine
CID 113473409
N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
CID 114492105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine (CID 63326599) is 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine is Cc1ccc(OCc2cscn2)c(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is INBWIKJGLXFISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-5-6-15(19-9-14-10-20-11-17-14)13(7-12)8-18-16(2,3)4/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63326599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).