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

C17H24N2OS — CID 82193907

IUPACN-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(OCCc2nc(CNC(C)C)cs2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-12(2)18-10-15-11-21-17(19-15)7-8-20-16-6-5-13(3)9-14(16)4/h5-6,9,11-12,18H,7-8,10H2,1-4H3
InChIKeyJBDQASDYHVTIEC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.88
Rot. Bonds7

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

N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 82193907) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID82193907
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(OCCc2nc(CNC(C)C)cs2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-12(2)18-10-15-11-21-17(19-15)7-8-20-16-6-5-13(3)9-14(16)4/h5-6,9,11-12,18H,7-8,10H2,1-4H3
InChIKeyJBDQASDYHVTIEC-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
N-[[4-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63216732
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 24714844
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
2-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918214
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 39099853
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922
4-(chloromethyl)-2-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-thiazole
CID 43169736
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 82193907) is N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1ccc(OCCc2nc(CNC(C)C)cs2)c(C)c1.
What is the InChIKey of N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is JBDQASDYHVTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(2)18-10-15-11-21-17(19-15)7-8-20-16-6-5-13(3)9-14(16)4/h5-6,9,11-12,18H,7-8,10H2,1-4H3.
What are the key properties of N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 82193907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).