4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole

C18H28N2O2S2 — CID 11474127

IUPAC4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOCCCCCCOCCc1scnc1C
InChIInChI=1S/C18H28N2O2S2/c1-15-17(23-13-19-15)7-11-21-9-5-3-4-6-10-22-12-8-18-16(2)20-14-24-18/h13-14H,3-12H2,1-2H3
InChIKeyQPSOYRGBLFDNMC-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.60
Rot. Bonds13

About 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole

4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole (PubChem CID 11474127) has the molecular formula C18H28N2O2S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
PubChem CID11474127
Molecular FormulaC18H28N2O2S2
Molecular Weight368.57 g/mol
Exact Mass368.16
IUPAC Name4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOCCCCCCOCCc1scnc1C
InChIInChI=1S/C18H28N2O2S2/c1-15-17(23-13-19-15)7-11-21-9-5-3-4-6-10-22-12-8-18-16(2)20-14-24-18/h13-14H,3-12H2,1-2H3
InChIKeyQPSOYRGBLFDNMC-UHFFFAOYSA-N
XLogP4.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62443422
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
CID 106710371
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2,2-dimethyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentanenitrile
CID 65257542
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole (CID 11474127) is 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole is Cc1ncsc1CCOCCCCCCOCCc1scnc1C.
What is the InChIKey of 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole?
The InChIKey is QPSOYRGBLFDNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S2/c1-15-17(23-13-19-15)7-11-21-9-5-3-4-6-10-22-12-8-18-16(2)20-14-24-18/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole?
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole has a molecular weight of 368.57 g/mol, XLogP of 4.60, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 11474127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).