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

C13H15NS — CID 21059934

IUPAC2-tert-butyl-5-phenyl-1,3-thiazole
SMILESCC(C)(C)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C13H15NS/c1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyJMJIVBIANGIKMZ-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.11
Rot. Bonds1

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

2-tert-butyl-5-phenyl-1,3-thiazole (PubChem CID 21059934) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-tert-butyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-phenyl-1,3-thiazole
PubChem CID21059934
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-tert-butyl-5-phenyl-1,3-thiazole
SMILESCC(C)(C)c1ncc(-c2ccccc2)s1
InChIInChI=1S/C13H15NS/c1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyJMJIVBIANGIKMZ-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenyl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-phenyl-1,3-thiazole (CID 21059934) is 2-tert-butyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-phenyl-1,3-thiazole is CC(C)(C)c1ncc(-c2ccccc2)s1.
What is the InChIKey of 2-tert-butyl-5-phenyl-1,3-thiazole?
The InChIKey is JMJIVBIANGIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-5-phenyl-1,3-thiazole?
2-tert-butyl-5-phenyl-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 21059934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).