4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione

C10H17NO4S2 — CID 123651890

IUPAC4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione
SMILESCOCCOCCOCCn1c(O)csc1=S
InChIInChI=1S/C10H17NO4S2/c1-13-4-5-15-7-6-14-3-2-11-9(12)8-17-10(11)16/h8,12H,2-7H2,1H3
InChIKeyMXYMPDJBCDUHJU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.66
Rot. Bonds9

About 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione

4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione (PubChem CID 123651890) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione
PubChem CID123651890
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC Name4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione
SMILESCOCCOCCOCCn1c(O)csc1=S
InChIInChI=1S/C10H17NO4S2/c1-13-4-5-15-7-6-14-3-2-11-9(12)8-17-10(11)16/h8,12H,2-7H2,1H3
InChIKeyMXYMPDJBCDUHJU-UHFFFAOYSA-N
XLogP1.66
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 54551323

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione (CID 123651890) is 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione is COCCOCCOCCn1c(O)csc1=S.
What is the InChIKey of 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione?
The InChIKey is MXYMPDJBCDUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S2/c1-13-4-5-15-7-6-14-3-2-11-9(12)8-17-10(11)16/h8,12H,2-7H2,1H3.
What are the key properties of 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione?
4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione has a molecular weight of 279.38 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 123651890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).