1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol

C18H17F3N4O2S — CID 67247929

IUPAC1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCOc1cnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)nc1
InChIInChI=1S/C18H17F3N4O2S/c1-10-4-11(14-9-22-15(28-14)17(2,26)18(19,20)21)6-12(5-10)25-16-23-7-13(27-3)8-24-16/h4-9,26H,1-3H3,(H,23,24,25)
InChIKeyHWJPOHFRUYUJLQ-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.43
Rot. Bonds5

About 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol

1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 67247929) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID67247929
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCOc1cnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)nc1
InChIInChI=1S/C18H17F3N4O2S/c1-10-4-11(14-9-22-15(28-14)17(2,26)18(19,20)21)6-12(5-10)25-16-23-7-13(27-3)8-24-16/h4-9,26H,1-3H3,(H,23,24,25)
InChIKeyHWJPOHFRUYUJLQ-UHFFFAOYSA-N
XLogP4.43
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol (CID 67247929) is 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol is COc1cnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)nc1.
What is the InChIKey of 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is HWJPOHFRUYUJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-10-4-11(14-9-22-15(28-14)17(2,26)18(19,20)21)6-12(5-10)25-16-23-7-13(27-3)8-24-16/h4-9,26H,1-3H3,(H,23,24,25).
What are the key properties of 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 410.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-[3-[(5-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 67247929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).