2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide

C16H32INOS — CID 173400274

IUPAC2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
SMILESCCCCCCCCCCN1CSC(CCO)=C1C.I
InChIInChI=1S/C16H31NOS.HI/c1-3-4-5-6-7-8-9-10-12-17-14-19-16(11-13-18)15(17)2;/h18H,3-14H2,1-2H3;1H
InChIKeyKCYAXCRFISNATG-UHFFFAOYSA-N
MW413.41 g/mol
LogP5.37
Rot. Bonds11

About 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide

2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide (PubChem CID 173400274) has the molecular formula C16H32INOS and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide.

Molecular Properties

Compound Name2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
PubChem CID173400274
Molecular FormulaC16H32INOS
Molecular Weight413.41 g/mol
Exact Mass413.12
IUPAC Name2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
SMILESCCCCCCCCCCN1CSC(CCO)=C1C.I
InChIInChI=1S/C16H31NOS.HI/c1-3-4-5-6-7-8-9-10-12-17-14-19-16(11-13-18)15(17)2;/h18H,3-14H2,1-2H3;1H
InChIKeyKCYAXCRFISNATG-UHFFFAOYSA-N
XLogP5.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide?
The IUPAC name of 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide (CID 173400274) is 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide.
What is the SMILES notation for 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide?
The canonical SMILES for 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide is CCCCCCCCCCN1CSC(CCO)=C1C.I.
What is the InChIKey of 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide?
The InChIKey is KCYAXCRFISNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS.HI/c1-3-4-5-6-7-8-9-10-12-17-14-19-16(11-13-18)15(17)2;/h18H,3-14H2,1-2H3;1H.
What are the key properties of 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide?
2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide has a molecular weight of 413.41 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide is sourced from PubChem (CID 173400274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).