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

C7H6F6N2OS — CID 142157351

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol
SMILESCNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H6F6N2OS/c1-14-4-15-2-3(17-4)5(16,6(8,9)10)7(11,12)13/h2,16H,1H3,(H,14,15)
InChIKeyQUNCNFZAIBGNRA-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.50
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 142157351) has the molecular formula C7H6F6N2OS and a molecular weight of 280.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID142157351
Molecular FormulaC7H6F6N2OS
Molecular Weight280.19 g/mol
Exact Mass280.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol
SMILESCNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H6F6N2OS/c1-14-4-15-2-3(17-4)5(16,6(8,9)10)7(11,12)13/h2,16H,1H3,(H,14,15)
InChIKeyQUNCNFZAIBGNRA-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol (CID 142157351) is 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol is CNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is QUNCNFZAIBGNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2OS/c1-14-4-15-2-3(17-4)5(16,6(8,9)10)7(11,12)13/h2,16H,1H3,(H,14,15).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 280.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-(methylamino)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 142157351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).