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

C16H22N2OS — CID 82422922

IUPACN-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2ncc(CNC(C)C)s2)c(C)c1
InChIInChI=1S/C16H22N2OS/c1-11(2)17-8-14-9-18-16(20-14)10-19-15-6-5-12(3)7-13(15)4/h5-7,9,11,17H,8,10H2,1-4H3
InChIKeyTXGXOJUEUBGXHY-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.84
Rot. Bonds6

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

N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82422922) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82422922
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2ncc(CNC(C)C)s2)c(C)c1
InChIInChI=1S/C16H22N2OS/c1-11(2)17-8-14-9-18-16(20-14)10-19-15-6-5-12(3)7-13(15)4/h5-7,9,11,17H,8,10H2,1-4H3
InChIKeyTXGXOJUEUBGXHY-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422743
3-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82422936
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937
N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423927
[2-[(4-chloro-2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82423099
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422739

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82422922) is N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1ccc(OCc2ncc(CNC(C)C)s2)c(C)c1.
What is the InChIKey of N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is TXGXOJUEUBGXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)17-8-14-9-18-16(20-14)10-19-15-6-5-12(3)7-13(15)4/h5-7,9,11,17H,8,10H2,1-4H3.
What are the key properties of N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82422922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).