2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole

C12H15NOS2 — CID 5127964

IUPAC2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(OCCSC2=NCCS2)cc1
InChIInChI=1S/C12H15NOS2/c1-10-2-4-11(5-3-10)14-7-9-16-12-13-6-8-15-12/h2-5H,6-9H2,1H3
InChIKeyRETPBMCCNQZWCB-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.21
Rot. Bonds4

About 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 5127964) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID5127964
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(OCCSC2=NCCS2)cc1
InChIInChI=1S/C12H15NOS2/c1-10-2-4-11(5-3-10)14-7-9-16-12-13-6-8-15-12/h2-5H,6-9H2,1H3
InChIKeyRETPBMCCNQZWCB-UHFFFAOYSA-N
XLogP3.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19727730
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249992
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
CID 28918398
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methylphenoxy)methyl]urea
CID 108893037
1-methyl-4-[2-(4-nitrophenyl)sulfanylethoxy]benzene
CID 134017030
ethane;1-ethyl-2-[2-(4-methylphenoxy)ethylsulfanyl]benzene
CID 142267698
S-[2-(4-methylphenoxy)ethyl] ethanethioate
CID 118201210
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653
methyl 4-[2-(4-methylphenyl)sulfanylethoxy]benzoate
CID 60627947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 5127964) is 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole is Cc1ccc(OCCSC2=NCCS2)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is RETPBMCCNQZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-10-2-4-11(5-3-10)14-7-9-16-12-13-6-8-15-12/h2-5H,6-9H2,1H3.
What are the key properties of 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 253.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)ethylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 5127964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).