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

C13H13F3N2S — CID 55154372

IUPACN-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C13H13F3N2S/c1-8(2)17-12-18-11(7-19-12)9-5-3-4-6-10(9)13(14,15)16/h3-8H,1-2H3,(H,17,18)
InChIKeyBNPRZOYMXIRAFJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.65
Rot. Bonds3

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

N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 55154372) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID55154372
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C13H13F3N2S/c1-8(2)17-12-18-11(7-19-12)9-5-3-4-6-10(9)13(14,15)16/h3-8H,1-2H3,(H,17,18)
InChIKeyBNPRZOYMXIRAFJ-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 55154372) is N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2ccccc2C(F)(F)F)cs1.
What is the InChIKey of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is BNPRZOYMXIRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8(2)17-12-18-11(7-19-12)9-5-3-4-6-10(9)13(14,15)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 286.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55154372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).