2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol

C8H11F3N2OS — CID 170441993

IUPAC2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCNc1nc(C(C)(C)O)c(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-7(2,14)4-5(8(9,10)11)15-6(12-3)13-4/h14H,1-3H3,(H,12,13)
InChIKeyNYXSREHWGQAXDP-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.43
Rot. Bonds2

About 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 170441993) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID170441993
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCNc1nc(C(C)(C)O)c(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-7(2,14)4-5(8(9,10)11)15-6(12-3)13-4/h14H,1-3H3,(H,12,13)
InChIKeyNYXSREHWGQAXDP-UHFFFAOYSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol (CID 170441993) is 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol is CNc1nc(C(C)(C)O)c(C(F)(F)F)s1.
What is the InChIKey of 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is NYXSREHWGQAXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-7(2,14)4-5(8(9,10)11)15-6(12-3)13-4/h14H,1-3H3,(H,12,13).
What are the key properties of 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-5-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 170441993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).