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

C11H19NS — CID 58980037

IUPAC4,5-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ncsc1C(C)(C)C
InChIInChI=1S/C11H19NS/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H,1-6H3
InChIKeyDAEGCMQTEFZMLE-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.74
Rot. Bonds

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

4,5-ditert-butyl-1,3-thiazole (PubChem CID 58980037) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 4,5-ditert-butyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-ditert-butyl-1,3-thiazole
PubChem CID58980037
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name4,5-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ncsc1C(C)(C)C
InChIInChI=1S/C11H19NS/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H,1-6H3
InChIKeyDAEGCMQTEFZMLE-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.74
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-1,3-thiazole?
The IUPAC name of 4,5-ditert-butyl-1,3-thiazole (CID 58980037) is 4,5-ditert-butyl-1,3-thiazole.
What is the SMILES notation for 4,5-ditert-butyl-1,3-thiazole?
The canonical SMILES for 4,5-ditert-butyl-1,3-thiazole is CC(C)(C)c1ncsc1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-1,3-thiazole?
The InChIKey is DAEGCMQTEFZMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-10(2,3)8-9(11(4,5)6)13-7-12-8/h7H,1-6H3.
What are the key properties of 4,5-ditert-butyl-1,3-thiazole?
4,5-ditert-butyl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.74, 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-1,3-thiazole is sourced from PubChem (CID 58980037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).