N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine

C11H9F3N2OS — CID 91092183

IUPACN-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine
SMILESCN(c1ccc(OC(F)(F)F)cc1)c1cscn1
InChIInChI=1S/C11H9F3N2OS/c1-16(10-6-18-7-15-10)8-2-4-9(5-3-8)17-11(12,13)14/h2-7H,1H3
InChIKeySURVHWGEFRLMLG-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.81
Rot. Bonds3

About N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine

N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine (PubChem CID 91092183) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine
PubChem CID91092183
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC NameN-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine
SMILESCN(c1ccc(OC(F)(F)F)cc1)c1cscn1
InChIInChI=1S/C11H9F3N2OS/c1-16(10-6-18-7-15-10)8-2-4-9(5-3-8)17-11(12,13)14/h2-7H,1H3
InChIKeySURVHWGEFRLMLG-UHFFFAOYSA-N
XLogP3.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine?
The IUPAC name of N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine (CID 91092183) is N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine?
The canonical SMILES for N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine is CN(c1ccc(OC(F)(F)F)cc1)c1cscn1.
What is the InChIKey of N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine?
The InChIKey is SURVHWGEFRLMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-16(10-6-18-7-15-10)8-2-4-9(5-3-8)17-11(12,13)14/h2-7H,1H3.
What are the key properties of N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine?
N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine has a molecular weight of 274.27 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 91092183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).