2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole

C14H17NS — CID 55645362

IUPAC2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
SMILESCc1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C14H17NS/c1-10-12(11-8-6-5-7-9-11)15-13(16-10)14(2,3)4/h5-9H,1-4H3
InChIKeyHXTUABOUMCQGEK-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.42
Rot. Bonds1

About 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole

2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole (PubChem CID 55645362) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
PubChem CID55645362
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
SMILESCc1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C14H17NS/c1-10-12(11-8-6-5-7-9-11)15-13(16-10)14(2,3)4/h5-9H,1-4H3
InChIKeyHXTUABOUMCQGEK-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.42
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-methyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole (CID 55645362) is 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole is Cc1sc(C(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole?
The InChIKey is HXTUABOUMCQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-12(11-8-6-5-7-9-11)15-13(16-10)14(2,3)4/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole?
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole has a molecular weight of 231.36 g/mol, XLogP of 4.42, 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-methyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 55645362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).