N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine

C11H9F3N4S — CID 44821405

IUPACN-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(C2CC2)nc(Nc2nccs2)n1
InChIInChI=1S/C11H9F3N4S/c12-11(13,14)8-5-7(6-1-2-6)16-9(17-8)18-10-15-3-4-19-10/h3-6H,1-2H2,(H,15,16,17,18)
InChIKeyXZNMDLGKDFXFMG-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.57
Rot. Bonds3

About N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine

N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 44821405) has the molecular formula C11H9F3N4S and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
PubChem CID44821405
Molecular FormulaC11H9F3N4S
Molecular Weight286.28 g/mol
Exact Mass286.05
IUPAC NameN-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(C2CC2)nc(Nc2nccs2)n1
InChIInChI=1S/C11H9F3N4S/c12-11(13,14)8-5-7(6-1-2-6)16-9(17-8)18-10-15-3-4-19-10/h3-6H,1-2H2,(H,15,16,17,18)
InChIKeyXZNMDLGKDFXFMG-UHFFFAOYSA-N
XLogP3.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine (CID 44821405) is N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine is FC(F)(F)c1cc(C2CC2)nc(Nc2nccs2)n1.
What is the InChIKey of N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is XZNMDLGKDFXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4S/c12-11(13,14)8-5-7(6-1-2-6)16-9(17-8)18-10-15-3-4-19-10/h3-6H,1-2H2,(H,15,16,17,18).
What are the key properties of N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine?
N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 286.28 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 44821405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).