2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine

C8H5F3N4S — CID 118961156

IUPAC2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)7-13-1-4(2-14-7)6-15-5(12)3-16-6/h1-3H,12H2
InChIKeyPLALKZQDXWGFQK-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.20
Rot. Bonds1

About 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine

2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine (PubChem CID 118961156) has the molecular formula C8H5F3N4S and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine
PubChem CID118961156
Molecular FormulaC8H5F3N4S
Molecular Weight246.22 g/mol
Exact Mass246.02
IUPAC Name2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)7-13-1-4(2-14-7)6-15-5(12)3-16-6/h1-3H,12H2
InChIKeyPLALKZQDXWGFQK-UHFFFAOYSA-N
XLogP2.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine (CID 118961156) is 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine is Nc1csc(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
The InChIKey is PLALKZQDXWGFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S/c9-8(10,11)7-13-1-4(2-14-7)6-15-5(12)3-16-6/h1-3H,12H2.
What are the key properties of 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine?
2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine has a molecular weight of 246.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 118961156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).