N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C11H9F3N2S — CID 2746054

IUPACN-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H9F3N2S/c1-7-2-4-8(5-3-7)15-10-16-9(6-17-10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyVQQYFSWCJWEEJJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.21
Rot. Bonds2

About N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 2746054) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID2746054
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC NameN-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C11H9F3N2S/c1-7-2-4-8(5-3-7)15-10-16-9(6-17-10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyVQQYFSWCJWEEJJ-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 2746054) is N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is VQQYFSWCJWEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-7-2-4-8(5-3-7)15-10-16-9(6-17-10)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 258.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2746054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).