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

C12H5F6N5S2 — CID 89023713

IUPAC2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESNc1cc(-c2nc(C(F)(F)F)cs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H5F6N5S2/c13-11(14,15)5-2-24-9(21-5)4-1-7(19)23-8(20-4)10-22-6(3-25-10)12(16,17)18/h1-3H,(H2,19,20,23)
InChIKeyBBSIBOIDBQTQSB-UHFFFAOYSA-N
MW397.33 g/mol
LogP4.34
Rot. Bonds2

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

2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 89023713) has the molecular formula C12H5F6N5S2 and a molecular weight of 397.33 g/mol. Its IUPAC name is 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID89023713
Molecular FormulaC12H5F6N5S2
Molecular Weight397.33 g/mol
Exact Mass396.99
IUPAC Name2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESNc1cc(-c2nc(C(F)(F)F)cs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H5F6N5S2/c13-11(14,15)5-2-24-9(21-5)4-1-7(19)23-8(20-4)10-22-6(3-25-10)12(16,17)18/h1-3H,(H2,19,20,23)
InChIKeyBBSIBOIDBQTQSB-UHFFFAOYSA-N
XLogP4.34
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 89023713) is 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Nc1cc(-c2nc(C(F)(F)F)cs2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is BBSIBOIDBQTQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6N5S2/c13-11(14,15)5-2-24-9(21-5)4-1-7(19)23-8(20-4)10-22-6(3-25-10)12(16,17)18/h1-3H,(H2,19,20,23).
What are the key properties of 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 397.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 89023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).