(2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol

C19H15F3N6OS — CID 67431407

IUPAC(2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
SMILESCn1nccc1C(O)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1
InChIInChI=1S/C19H15F3N6OS/c1-28-13(5-8-25-28)16(29)17-24-10-14(30-17)11-3-2-4-12(9-11)26-18-23-7-6-15(27-18)19(20,21)22/h2-10,16,29H,1H3,(H,23,26,27)
InChIKeyHCYRDBHQSYCXRB-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.18
Rot. Bonds5

About (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol

(2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 67431407) has the molecular formula C19H15F3N6OS and a molecular weight of 432.43 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID67431407
Molecular FormulaC19H15F3N6OS
Molecular Weight432.43 g/mol
Exact Mass432.10
IUPAC Name(2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
SMILESCn1nccc1C(O)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1
InChIInChI=1S/C19H15F3N6OS/c1-28-13(5-8-25-28)16(29)17-24-10-14(30-17)11-3-2-4-12(9-11)26-18-23-7-6-15(27-18)19(20,21)22/h2-10,16,29H,1H3,(H,23,26,27)
InChIKeyHCYRDBHQSYCXRB-UHFFFAOYSA-N
XLogP4.18
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol (CID 67431407) is (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol is Cn1nccc1C(O)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is HCYRDBHQSYCXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6OS/c1-28-13(5-8-25-28)16(29)17-24-10-14(30-17)11-3-2-4-12(9-11)26-18-23-7-6-15(27-18)19(20,21)22/h2-10,16,29H,1H3,(H,23,26,27).
What are the key properties of (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
(2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 432.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 67431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).