4,5-ditert-butyl-3-methyl-1,2-thiazole

C12H21NS — CID 20729751

IUPAC4,5-ditert-butyl-3-methyl-1,2-thiazole
SMILESCc1nsc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C12H21NS/c1-8-9(11(2,3)4)10(14-13-8)12(5,6)7/h1-7H3
InChIKeyNQKNLZJAFDSLQK-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.05
Rot. Bonds

About 4,5-ditert-butyl-3-methyl-1,2-thiazole

4,5-ditert-butyl-3-methyl-1,2-thiazole (PubChem CID 20729751) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 4,5-ditert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name4,5-ditert-butyl-3-methyl-1,2-thiazole
PubChem CID20729751
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name4,5-ditert-butyl-3-methyl-1,2-thiazole
SMILESCc1nsc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C12H21NS/c1-8-9(11(2,3)4)10(14-13-8)12(5,6)7/h1-7H3
InChIKeyNQKNLZJAFDSLQK-UHFFFAOYSA-N
XLogP4.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-3-methyl-1,2-thiazole?
The IUPAC name of 4,5-ditert-butyl-3-methyl-1,2-thiazole (CID 20729751) is 4,5-ditert-butyl-3-methyl-1,2-thiazole.
What is the SMILES notation for 4,5-ditert-butyl-3-methyl-1,2-thiazole?
The canonical SMILES for 4,5-ditert-butyl-3-methyl-1,2-thiazole is Cc1nsc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-3-methyl-1,2-thiazole?
The InChIKey is NQKNLZJAFDSLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-8-9(11(2,3)4)10(14-13-8)12(5,6)7/h1-7H3.
What are the key properties of 4,5-ditert-butyl-3-methyl-1,2-thiazole?
4,5-ditert-butyl-3-methyl-1,2-thiazole has a molecular weight of 211.37 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 20729751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).