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

C12H8F3N5OS2 — CID 70843559

IUPAC6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCOc1nc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)cs1
InChIInChI=1S/C12H8F3N5OS2/c1-21-11-18-6(3-23-11)5-2-8(16)20-9(17-5)10-19-7(4-22-10)12(13,14)15/h2-4H,1H3,(H2,16,17,20)
InChIKeyUTUPVYVFDPYAKD-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.33
Rot. Bonds3

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

6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 70843559) has the molecular formula C12H8F3N5OS2 and a molecular weight of 359.36 g/mol. Its IUPAC name is 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID70843559
Molecular FormulaC12H8F3N5OS2
Molecular Weight359.36 g/mol
Exact Mass359.01
IUPAC Name6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCOc1nc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)cs1
InChIInChI=1S/C12H8F3N5OS2/c1-21-11-18-6(3-23-11)5-2-8(16)20-9(17-5)10-19-7(4-22-10)12(13,14)15/h2-4H,1H3,(H2,16,17,20)
InChIKeyUTUPVYVFDPYAKD-UHFFFAOYSA-N
XLogP3.33
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 70843559) is 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is COc1nc(-c2cc(N)nc(-c3nc(C(F)(F)F)cs3)n2)cs1.
What is the InChIKey of 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is UTUPVYVFDPYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5OS2/c1-21-11-18-6(3-23-11)5-2-8(16)20-9(17-5)10-19-7(4-22-10)12(13,14)15/h2-4H,1H3,(H2,16,17,20).
What are the key properties of 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 359.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-1,3-thiazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 70843559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).