[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol

C13H15NO2S2 — CID 82516213

IUPAC[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
SMILESCOc1ccc(OCCc2nc(CS)cs2)cc1
InChIInChI=1S/C13H15NO2S2/c1-15-11-2-4-12(5-3-11)16-7-6-13-14-10(8-17)9-18-13/h2-5,9,17H,6-8H2,1H3
InChIKeyWMSPZEKNMLIKFD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds6

About [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol

[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol (PubChem CID 82516213) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
PubChem CID82516213
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
SMILESCOc1ccc(OCCc2nc(CS)cs2)cc1
InChIInChI=1S/C13H15NO2S2/c1-15-11-2-4-12(5-3-11)16-7-6-13-14-10(8-17)9-18-13/h2-5,9,17H,6-8H2,1H3
InChIKeyWMSPZEKNMLIKFD-UHFFFAOYSA-N
XLogP3.20
TPSA31.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol 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

N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942
[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-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745518
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethoxy]benzoic acid
CID 82105647

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
The IUPAC name of [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol (CID 82516213) is [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol.
What is the SMILES notation for [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
The canonical SMILES for [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol is COc1ccc(OCCc2nc(CS)cs2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
The InChIKey is WMSPZEKNMLIKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-15-11-2-4-12(5-3-11)16-7-6-13-14-10(8-17)9-18-13/h2-5,9,17H,6-8H2,1H3.
What are the key properties of [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol has a molecular weight of 281.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol is sourced from PubChem (CID 82516213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).