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

C18H17F3N4OS — CID 58456157

IUPAC2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(C)O)s2)c1
InChIInChI=1S/C18H17F3N4OS/c1-10-6-11(13-9-23-15(27-13)17(2,3)26)8-12(7-10)24-16-22-5-4-14(25-16)18(19,20)21/h4-9,26H,1-3H3,(H,22,24,25)
InChIKeyBOQVYYUYSYSJAK-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.90
Rot. Bonds4

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

2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 58456157) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID58456157
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC Name2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(C)O)s2)c1
InChIInChI=1S/C18H17F3N4OS/c1-10-6-11(13-9-23-15(27-13)17(2,3)26)8-12(7-10)24-16-22-5-4-14(25-16)18(19,20)21/h4-9,26H,1-3H3,(H,22,24,25)
InChIKeyBOQVYYUYSYSJAK-UHFFFAOYSA-N
XLogP4.90
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol (CID 58456157) is 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(C)O)s2)c1.
What is the InChIKey of 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is BOQVYYUYSYSJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-10-6-11(13-9-23-15(27-13)17(2,3)26)8-12(7-10)24-16-22-5-4-14(25-16)18(19,20)21/h4-9,26H,1-3H3,(H,22,24,25).
What are the key properties of 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 394.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 58456157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).