4-tert-butyl-1,3-thiazole

C7H11NS — CID 581111

IUPAC4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cscn1
InChIInChI=1S/C7H11NS/c1-7(2,3)6-4-9-5-8-6/h4-5H,1-3H3
InChIKeyFNHWFALBBBUBGY-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.44
Rot. Bonds

About 4-tert-butyl-1,3-thiazole

4-tert-butyl-1,3-thiazole (PubChem CID 581111) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-1,3-thiazole
PubChem CID581111
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cscn1
InChIInChI=1S/C7H11NS/c1-7(2,3)6-4-9-5-8-6/h4-5H,1-3H3
InChIKeyFNHWFALBBBUBGY-UHFFFAOYSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-thiazole?
The IUPAC name of 4-tert-butyl-1,3-thiazole (CID 581111) is 4-tert-butyl-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-1,3-thiazole is CC(C)(C)c1cscn1.
What is the InChIKey of 4-tert-butyl-1,3-thiazole?
The InChIKey is FNHWFALBBBUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-7(2,3)6-4-9-5-8-6/h4-5H,1-3H3.
What are the key properties of 4-tert-butyl-1,3-thiazole?
4-tert-butyl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-thiazole is sourced from PubChem (CID 581111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).