5-benzyl-2-tert-butyl-1,3-thiazole

C14H17NS — CID 59286620

IUPAC5-benzyl-2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ncc(Cc2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyPHKWQNRCYGNPLD-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.03
Rot. Bonds2

About 5-benzyl-2-tert-butyl-1,3-thiazole

5-benzyl-2-tert-butyl-1,3-thiazole (PubChem CID 59286620) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 5-benzyl-2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name5-benzyl-2-tert-butyl-1,3-thiazole
PubChem CID59286620
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name5-benzyl-2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1ncc(Cc2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyPHKWQNRCYGNPLD-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-tert-butyl-1,3-thiazole?
The IUPAC name of 5-benzyl-2-tert-butyl-1,3-thiazole (CID 59286620) is 5-benzyl-2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 5-benzyl-2-tert-butyl-1,3-thiazole?
The canonical SMILES for 5-benzyl-2-tert-butyl-1,3-thiazole is CC(C)(C)c1ncc(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-2-tert-butyl-1,3-thiazole?
The InChIKey is PHKWQNRCYGNPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-benzyl-2-tert-butyl-1,3-thiazole?
5-benzyl-2-tert-butyl-1,3-thiazole has a molecular weight of 231.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 59286620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).