N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C17H13F3N2OS — CID 139928184

IUPACN-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(N(c2cccc(C(F)(F)F)c2)c2nccs2)cc1
InChIInChI=1S/C17H13F3N2OS/c1-23-15-7-5-13(6-8-15)22(16-21-9-10-24-16)14-4-2-3-12(11-14)17(18,19)20/h2-11H,1H3
InChIKeyFRYGTGJCCIIRDD-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.64
Rot. Bonds4

About N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 139928184) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID139928184
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(N(c2cccc(C(F)(F)F)c2)c2nccs2)cc1
InChIInChI=1S/C17H13F3N2OS/c1-23-15-7-5-13(6-8-15)22(16-21-9-10-24-16)14-4-2-3-12(11-14)17(18,19)20/h2-11H,1H3
InChIKeyFRYGTGJCCIIRDD-UHFFFAOYSA-N
XLogP5.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 139928184) is N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is COc1ccc(N(c2cccc(C(F)(F)F)c2)c2nccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is FRYGTGJCCIIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-23-15-7-5-13(6-8-15)22(16-21-9-10-24-16)14-4-2-3-12(11-14)17(18,19)20/h2-11H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 350.37 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139928184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).