2,4,5-tritert-butyl-1,3-thiazole

C15H27NS — CID 20829078

IUPAC2,4,5-tritert-butyl-1,3-thiazole
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1
InChIInChI=1S/C15H27NS/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h1-9H3
InChIKeySDOYKXBXBZIBRN-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.04
Rot. Bonds

About 2,4,5-tritert-butyl-1,3-thiazole

2,4,5-tritert-butyl-1,3-thiazole (PubChem CID 20829078) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2,4,5-tritert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2,4,5-tritert-butyl-1,3-thiazole
PubChem CID20829078
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2,4,5-tritert-butyl-1,3-thiazole
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1
InChIInChI=1S/C15H27NS/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h1-9H3
InChIKeySDOYKXBXBZIBRN-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tritert-butyl-1,3-thiazole?
The IUPAC name of 2,4,5-tritert-butyl-1,3-thiazole (CID 20829078) is 2,4,5-tritert-butyl-1,3-thiazole.
What is the SMILES notation for 2,4,5-tritert-butyl-1,3-thiazole?
The canonical SMILES for 2,4,5-tritert-butyl-1,3-thiazole is CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.
What is the InChIKey of 2,4,5-tritert-butyl-1,3-thiazole?
The InChIKey is SDOYKXBXBZIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9/h1-9H3.
What are the key properties of 2,4,5-tritert-butyl-1,3-thiazole?
2,4,5-tritert-butyl-1,3-thiazole has a molecular weight of 253.45 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tritert-butyl-1,3-thiazole is sourced from PubChem (CID 20829078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).