2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole

C10H17NO2S — CID 66056335

IUPAC2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C(C)(C)C)n1
InChIInChI=1S/C10H17NO2S/c1-10(2,3)9-11-7(6-14-9)8(12-4)13-5/h6,8H,1-5H3
InChIKeyQYJZLDLEIJANSE-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.73
Rot. Bonds3

About 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole

2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole (PubChem CID 66056335) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
PubChem CID66056335
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C(C)(C)C)n1
InChIInChI=1S/C10H17NO2S/c1-10(2,3)9-11-7(6-14-9)8(12-4)13-5/h6,8H,1-5H3
InChIKeyQYJZLDLEIJANSE-UHFFFAOYSA-N
XLogP2.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole (CID 66056335) is 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole is COC(OC)c1csc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole?
The InChIKey is QYJZLDLEIJANSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-10(2,3)9-11-7(6-14-9)8(12-4)13-5/h6,8H,1-5H3.
What are the key properties of 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole?
2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole has a molecular weight of 215.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 66056335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).