2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine

C16H22N2OS — CID 82191090

IUPAC2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1ccc(OCCc2ncc(C(C)(C)N)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-12-5-7-13(8-6-12)19-10-9-15-18-11-14(20-15)16(2,3)17/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyAHJONPILXDTZFV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine

2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82191090) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82191090
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1ccc(OCCc2ncc(C(C)(C)N)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-12-5-7-13(8-6-12)19-10-9-15-18-11-14(20-15)16(2,3)17/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyAHJONPILXDTZFV-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191095
2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424103
1-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191088
4-(4-ethylphenoxy)-2-methylbutan-2-amine
CID 28917779
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazole-4-carbothioamide
CID 82516503
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
[2-[2-(4-ethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441054
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine (CID 82191090) is 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine is CCc1ccc(OCCc2ncc(C(C)(C)N)s2)cc1.
What is the InChIKey of 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is AHJONPILXDTZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-12-5-7-13(8-6-12)19-10-9-15-18-11-14(20-15)16(2,3)17/h5-8,11H,4,9-10,17H2,1-3H3.
What are the key properties of 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82191090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).