2-(5-methylhexan-3-yloxy)-1,3-thiazole

C10H17NOS — CID 70614310

IUPAC2-(5-methylhexan-3-yloxy)-1,3-thiazole
SMILESCCC(CC(C)C)Oc1nccs1
InChIInChI=1S/C10H17NOS/c1-4-9(7-8(2)3)12-10-11-5-6-13-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyDGPLOMUMWQQSGL-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.35
Rot. Bonds5

About 2-(5-methylhexan-3-yloxy)-1,3-thiazole

2-(5-methylhexan-3-yloxy)-1,3-thiazole (PubChem CID 70614310) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(5-methylhexan-3-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methylhexan-3-yloxy)-1,3-thiazole
PubChem CID70614310
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-(5-methylhexan-3-yloxy)-1,3-thiazole
SMILESCCC(CC(C)C)Oc1nccs1
InChIInChI=1S/C10H17NOS/c1-4-9(7-8(2)3)12-10-11-5-6-13-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyDGPLOMUMWQQSGL-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexan-3-yloxy)-1,3-thiazole?
The IUPAC name of 2-(5-methylhexan-3-yloxy)-1,3-thiazole (CID 70614310) is 2-(5-methylhexan-3-yloxy)-1,3-thiazole.
What is the SMILES notation for 2-(5-methylhexan-3-yloxy)-1,3-thiazole?
The canonical SMILES for 2-(5-methylhexan-3-yloxy)-1,3-thiazole is CCC(CC(C)C)Oc1nccs1.
What is the InChIKey of 2-(5-methylhexan-3-yloxy)-1,3-thiazole?
The InChIKey is DGPLOMUMWQQSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-9(7-8(2)3)12-10-11-5-6-13-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2-(5-methylhexan-3-yloxy)-1,3-thiazole?
2-(5-methylhexan-3-yloxy)-1,3-thiazole has a molecular weight of 199.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexan-3-yloxy)-1,3-thiazole is sourced from PubChem (CID 70614310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).