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

C11H6F3N5S2 — CID 70843520

IUPAC6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESNc1cc(-c2nccs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C11H6F3N5S2/c12-11(13,14)6-4-21-10(18-6)8-17-5(3-7(15)19-8)9-16-1-2-20-9/h1-4H,(H2,15,17,19)
InChIKeyCXJUVVWJRVPKIO-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.32
Rot. Bonds2

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

6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 70843520) has the molecular formula C11H6F3N5S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID70843520
Molecular FormulaC11H6F3N5S2
Molecular Weight329.33 g/mol
Exact Mass329.00
IUPAC Name6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESNc1cc(-c2nccs2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C11H6F3N5S2/c12-11(13,14)6-4-21-10(18-6)8-17-5(3-7(15)19-8)9-16-1-2-20-9/h1-4H,(H2,15,17,19)
InChIKeyCXJUVVWJRVPKIO-UHFFFAOYSA-N
XLogP3.32
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 70843520) is 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is Nc1cc(-c2nccs2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is CXJUVVWJRVPKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5S2/c12-11(13,14)6-4-21-10(18-6)8-17-5(3-7(15)19-8)9-16-1-2-20-9/h1-4H,(H2,15,17,19).
What are the key properties of 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 329.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 70843520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).