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

C19H17F3N2S — CID 147598356

IUPACN-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCN(c1nc(-c2ccccc2C(F)(F)F)cs1)c1ccccc1C
InChIInChI=1S/C19H17F3N2S/c1-3-24(17-11-7-4-8-13(17)2)18-23-16(12-25-18)14-9-5-6-10-15(14)19(20,21)22/h4-12H,3H2,1-2H3
InChIKeyFZQHYIRCSHPOGT-UHFFFAOYSA-N
MW362.42 g/mol
LogP6.30
Rot. Bonds4

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

N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 147598356) has the molecular formula C19H17F3N2S and a molecular weight of 362.42 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID147598356
Molecular FormulaC19H17F3N2S
Molecular Weight362.42 g/mol
Exact Mass362.11
IUPAC NameN-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCN(c1nc(-c2ccccc2C(F)(F)F)cs1)c1ccccc1C
InChIInChI=1S/C19H17F3N2S/c1-3-24(17-11-7-4-8-13(17)2)18-23-16(12-25-18)14-9-5-6-10-15(14)19(20,21)22/h4-12H,3H2,1-2H3
InChIKeyFZQHYIRCSHPOGT-UHFFFAOYSA-N
XLogP6.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 147598356) is N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCN(c1nc(-c2ccccc2C(F)(F)F)cs1)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is FZQHYIRCSHPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2S/c1-3-24(17-11-7-4-8-13(17)2)18-23-16(12-25-18)14-9-5-6-10-15(14)19(20,21)22/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 362.42 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 147598356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).