5-(1-methoxy-3-methylbutyl)-1,3-thiazole

C9H15NOS — CID 171505801

IUPAC5-(1-methoxy-3-methylbutyl)-1,3-thiazole
SMILESCOC(CC(C)C)c1cncs1
InChIInChI=1S/C9H15NOS/c1-7(2)4-8(11-3)9-5-10-6-12-9/h5-8H,4H2,1-3H3
InChIKeyUKMDLLJFGCXJFR-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.88
Rot. Bonds4

About 5-(1-methoxy-3-methylbutyl)-1,3-thiazole

5-(1-methoxy-3-methylbutyl)-1,3-thiazole (PubChem CID 171505801) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-(1-methoxy-3-methylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-methoxy-3-methylbutyl)-1,3-thiazole
PubChem CID171505801
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name5-(1-methoxy-3-methylbutyl)-1,3-thiazole
SMILESCOC(CC(C)C)c1cncs1
InChIInChI=1S/C9H15NOS/c1-7(2)4-8(11-3)9-5-10-6-12-9/h5-8H,4H2,1-3H3
InChIKeyUKMDLLJFGCXJFR-UHFFFAOYSA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxy-3-methylbutyl)-1,3-thiazole?
The IUPAC name of 5-(1-methoxy-3-methylbutyl)-1,3-thiazole (CID 171505801) is 5-(1-methoxy-3-methylbutyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-methoxy-3-methylbutyl)-1,3-thiazole?
The canonical SMILES for 5-(1-methoxy-3-methylbutyl)-1,3-thiazole is COC(CC(C)C)c1cncs1.
What is the InChIKey of 5-(1-methoxy-3-methylbutyl)-1,3-thiazole?
The InChIKey is UKMDLLJFGCXJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(2)4-8(11-3)9-5-10-6-12-9/h5-8H,4H2,1-3H3.
What are the key properties of 5-(1-methoxy-3-methylbutyl)-1,3-thiazole?
5-(1-methoxy-3-methylbutyl)-1,3-thiazole has a molecular weight of 185.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxy-3-methylbutyl)-1,3-thiazole is sourced from PubChem (CID 171505801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).