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

C8H5F3N4S — CID 87395255

IUPAC4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ncccn2)c(C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)5-4(15-7(12)16-5)6-13-2-1-3-14-6/h1-3H,(H2,12,15)
InChIKeyJNSLNGDPXYSPPA-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.20
Rot. Bonds1

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

4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 87395255) has the molecular formula C8H5F3N4S and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID87395255
Molecular FormulaC8H5F3N4S
Molecular Weight246.22 g/mol
Exact Mass246.02
IUPAC Name4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ncccn2)c(C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4S/c9-8(10,11)5-4(15-7(12)16-5)6-13-2-1-3-14-6/h1-3H,(H2,12,15)
InChIKeyJNSLNGDPXYSPPA-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 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 87395255) is 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is Nc1nc(-c2ncccn2)c(C(F)(F)F)s1.
What is the InChIKey of 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JNSLNGDPXYSPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S/c9-8(10,11)5-4(15-7(12)16-5)6-13-2-1-3-14-6/h1-3H,(H2,12,15).
What are the key properties of 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-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 4-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87395255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).