1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol

C18H17F3N4O2S — CID 67262059

IUPAC1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCOc1ccnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)n1
InChIInChI=1S/C18H17F3N4O2S/c1-10-6-11(13-9-23-15(28-13)17(2,26)18(19,20)21)8-12(7-10)24-16-22-5-4-14(25-16)27-3/h4-9,26H,1-3H3,(H,22,24,25)
InChIKeyRENSNHYOQCEFRO-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.43
Rot. Bonds5

About 1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol

1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 67262059) 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-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID67262059
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCOc1ccnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)n1
InChIInChI=1S/C18H17F3N4O2S/c1-10-6-11(13-9-23-15(28-13)17(2,26)18(19,20)21)8-12(7-10)24-16-22-5-4-14(25-16)27-3/h4-9,26H,1-3H3,(H,22,24,25)
InChIKeyRENSNHYOQCEFRO-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-[(4-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-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol (CID 67262059) is 1,1,1-trifluoro-2-[5-[3-[(4-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-[(4-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-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol is COc1ccnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is RENSNHYOQCEFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-10-6-11(13-9-23-15(28-13)17(2,26)18(19,20)21)8-12(7-10)24-16-22-5-4-14(25-16)27-3/h4-9,26H,1-3H3,(H,22,24,25).
What are the key properties of 1,1,1-trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[5-[3-[(4-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-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 67262059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).