2,3-ditert-butyl-2H-1,3-thiazole

C11H21NS — CID 176622111

IUPAC2,3-ditert-butyl-2H-1,3-thiazole
SMILESCC(C)(C)C1SC=CN1C(C)(C)C
InChIInChI=1S/C11H21NS/c1-10(2,3)9-12(7-8-13-9)11(4,5)6/h7-9H,1-6H3
InChIKeyZEOUTPFEKWGZBU-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.68
Rot. Bonds

About 2,3-ditert-butyl-2H-1,3-thiazole

2,3-ditert-butyl-2H-1,3-thiazole (PubChem CID 176622111) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2,3-ditert-butyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2,3-ditert-butyl-2H-1,3-thiazole
PubChem CID176622111
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2,3-ditert-butyl-2H-1,3-thiazole
SMILESCC(C)(C)C1SC=CN1C(C)(C)C
InChIInChI=1S/C11H21NS/c1-10(2,3)9-12(7-8-13-9)11(4,5)6/h7-9H,1-6H3
InChIKeyZEOUTPFEKWGZBU-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2H-1,3-thiazole?
The IUPAC name of 2,3-ditert-butyl-2H-1,3-thiazole (CID 176622111) is 2,3-ditert-butyl-2H-1,3-thiazole.
What is the SMILES notation for 2,3-ditert-butyl-2H-1,3-thiazole?
The canonical SMILES for 2,3-ditert-butyl-2H-1,3-thiazole is CC(C)(C)C1SC=CN1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2H-1,3-thiazole?
The InChIKey is ZEOUTPFEKWGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-10(2,3)9-12(7-8-13-9)11(4,5)6/h7-9H,1-6H3.
What are the key properties of 2,3-ditert-butyl-2H-1,3-thiazole?
2,3-ditert-butyl-2H-1,3-thiazole has a molecular weight of 199.36 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2H-1,3-thiazole is sourced from PubChem (CID 176622111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).