3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

C15H11F3N4OS — CID 11772536

IUPAC3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
SMILESCc1csc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C15H11F3N4OS/c1-8-7-24-13(20-8)12-2-3-19-14(22-12)21-10-4-9(15(16,17)18)5-11(23)6-10/h2-7,23H,1H3,(H,19,21,22)
InChIKeyBDOLHOVSXMNSRG-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.38
Rot. Bonds3

About 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (PubChem CID 11772536) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
PubChem CID11772536
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
SMILESCc1csc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C15H11F3N4OS/c1-8-7-24-13(20-8)12-2-3-19-14(22-12)21-10-4-9(15(16,17)18)5-11(23)6-10/h2-7,23H,1H3,(H,19,21,22)
InChIKeyBDOLHOVSXMNSRG-UHFFFAOYSA-N
XLogP4.38
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (CID 11772536) is 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is Cc1csc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
The InChIKey is BDOLHOVSXMNSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-8-7-24-13(20-8)12-2-3-19-14(22-12)21-10-4-9(15(16,17)18)5-11(23)6-10/h2-7,23H,1H3,(H,19,21,22).
What are the key properties of 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?
3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol has a molecular weight of 352.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 11772536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).