2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole

C11H19NOS — CID 116734664

IUPAC2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
SMILESCCCC(OC)c1ncc(C(C)C)s1
InChIInChI=1S/C11H19NOS/c1-5-6-9(13-4)11-12-7-10(14-11)8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyWNDLPGBKJGRPJU-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.75
Rot. Bonds5

About 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole

2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 116734664) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
PubChem CID116734664
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
SMILESCCCC(OC)c1ncc(C(C)C)s1
InChIInChI=1S/C11H19NOS/c1-5-6-9(13-4)11-12-7-10(14-11)8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyWNDLPGBKJGRPJU-UHFFFAOYSA-N
XLogP3.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole (CID 116734664) is 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole is CCCC(OC)c1ncc(C(C)C)s1.
What is the InChIKey of 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is WNDLPGBKJGRPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-5-6-9(13-4)11-12-7-10(14-11)8(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole?
2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116734664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).