[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine

C15H20N2OS — CID 82104681

IUPAC[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCC(C)c1cccc(OCCc2nc(CN)cs2)c1
InChIInChI=1S/C15H20N2OS/c1-11(2)12-4-3-5-14(8-12)18-7-6-15-17-13(9-16)10-19-15/h3-5,8,10-11H,6-7,9,16H2,1-2H3
InChIKeyIJHHIGZTKPDMOC-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds6

About [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine

[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 82104681) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
PubChem CID82104681
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
SMILESCC(C)c1cccc(OCCc2nc(CN)cs2)c1
InChIInChI=1S/C15H20N2OS/c1-11(2)12-4-3-5-14(8-12)18-7-6-15-17-13(9-16)10-19-15/h3-5,8,10-11H,6-7,9,16H2,1-2H3
InChIKeyIJHHIGZTKPDMOC-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432
[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82516227
2-[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82516430
N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193815
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
(1S)-1-[3-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 78933888
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
4-methyl-2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82154153
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154607

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine (CID 82104681) is [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine is CC(C)c1cccc(OCCc2nc(CN)cs2)c1.
What is the InChIKey of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is IJHHIGZTKPDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)12-4-3-5-14(8-12)18-7-6-15-17-13(9-16)10-19-15/h3-5,8,10-11H,6-7,9,16H2,1-2H3.
What are the key properties of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine?
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82104681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).