3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid

C14H15F3N4O3S — CID 155846689

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid
SMILESCc1nc(C2COCCN2c2ncccn2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H14N4OS.C2HF3O2/c1-9-15-10(8-18-9)11-7-17-6-5-16(11)12-13-3-2-4-14-12;3-2(4,5)1(6)7/h2-4,8,11H,5-7H2,1H3;(H,6,7)
InChIKeyBIAPLGNFCHFZAB-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.45
Rot. Bonds2

About 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid

3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid (PubChem CID 155846689) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid
PubChem CID155846689
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid
SMILESCc1nc(C2COCCN2c2ncccn2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H14N4OS.C2HF3O2/c1-9-15-10(8-18-9)11-7-17-6-5-16(11)12-13-3-2-4-14-12;3-2(4,5)1(6)7/h2-4,8,11H,5-7H2,1H3;(H,6,7)
InChIKeyBIAPLGNFCHFZAB-UHFFFAOYSA-N
XLogP2.45
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid (CID 155846689) is 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid is Cc1nc(C2COCCN2c2ncccn2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid?
The InChIKey is BIAPLGNFCHFZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS.C2HF3O2/c1-9-15-10(8-18-9)11-7-17-6-5-16(11)12-13-3-2-4-14-12;3-2(4,5)1(6)7/h2-4,8,11H,5-7H2,1H3;(H,6,7).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid?
3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid has a molecular weight of 376.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).