N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C17H24N2OS — CID 82423927

IUPACN-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cccc(C)c1OCCc1ncc(CNC(C)C)s1
InChIInChI=1S/C17H24N2OS/c1-12(2)18-10-15-11-19-16(21-15)8-9-20-17-13(3)6-5-7-14(17)4/h5-7,11-12,18H,8-10H2,1-4H3
InChIKeyKRYCTLHQLGWGPX-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.88
Rot. Bonds7

About N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82423927) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82423927
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cccc(C)c1OCCc1ncc(CNC(C)C)s1
InChIInChI=1S/C17H24N2OS/c1-12(2)18-10-15-11-19-16(21-15)8-9-20-17-13(3)6-5-7-14(17)4/h5-7,11-12,18H,8-10H2,1-4H3
InChIKeyKRYCTLHQLGWGPX-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

[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82423935
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82424083
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037
N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281353
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422743
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191130
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
2-[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82422966

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82423927) is N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1cccc(C)c1OCCc1ncc(CNC(C)C)s1.
What is the InChIKey of N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is KRYCTLHQLGWGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(2)18-10-15-11-19-16(21-15)8-9-20-17-13(3)6-5-7-14(17)4/h5-7,11-12,18H,8-10H2,1-4H3.
What are the key properties of N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-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-(2,6-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82423927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).