2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H10F3NS — CID 70317978

IUPAC2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2C)cs1
InChIInChI=1S/C12H10F3NS/c1-7-5-9(12(13,14)15)3-4-10(7)11-6-17-8(2)16-11/h3-6H,1-2H3
InChIKeyWWRXOHREAJFFBN-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.45
Rot. Bonds1

About 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole

2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 70317978) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID70317978
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC Name2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2C)cs1
InChIInChI=1S/C12H10F3NS/c1-7-5-9(12(13,14)15)3-4-10(7)11-6-17-8(2)16-11/h3-6H,1-2H3
InChIKeyWWRXOHREAJFFBN-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 70317978) is 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(C(F)(F)F)cc2C)cs1.
What is the InChIKey of 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is WWRXOHREAJFFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c1-7-5-9(12(13,14)15)3-4-10(7)11-6-17-8(2)16-11/h3-6H,1-2H3.
What are the key properties of 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 257.28 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 70317978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).