5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole

C11H19NOS — CID 139335798

IUPAC5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(COC(C)C)s1
InChIInChI=1S/C11H19NOS/c1-8(2)5-10-6-12-11(14-10)7-13-9(3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyADGKAJRCWBDZDF-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.27
Rot. Bonds5

About 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole

5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole (PubChem CID 139335798) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole
PubChem CID139335798
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(COC(C)C)s1
InChIInChI=1S/C11H19NOS/c1-8(2)5-10-6-12-11(14-10)7-13-9(3)4/h6,8-9H,5,7H2,1-4H3
InChIKeyADGKAJRCWBDZDF-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole (CID 139335798) is 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole is CC(C)Cc1cnc(COC(C)C)s1.
What is the InChIKey of 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole?
The InChIKey is ADGKAJRCWBDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8(2)5-10-6-12-11(14-10)7-13-9(3)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole?
5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-(propan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 139335798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).