[2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol

C7H5F7N2OS — CID 57337582

IUPAC[2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol
SMILESNc1nc(CO)c(C(F)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F7N2OS/c8-5(6(9,10)11,7(12,13)14)3-2(1-17)16-4(15)18-3/h17H,1H2,(H2,15,16)
InChIKeyQOBFPILHEPRZBB-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.51
Rot. Bonds2

About [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol

[2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 57337582) has the molecular formula C7H5F7N2OS and a molecular weight of 298.18 g/mol. Its IUPAC name is [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol
PubChem CID57337582
Molecular FormulaC7H5F7N2OS
Molecular Weight298.18 g/mol
Exact Mass298.00
IUPAC Name[2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol
SMILESNc1nc(CO)c(C(F)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F7N2OS/c8-5(6(9,10)11,7(12,13)14)3-2(1-17)16-4(15)18-3/h17H,1H2,(H2,15,16)
InChIKeyQOBFPILHEPRZBB-UHFFFAOYSA-N
XLogP2.51
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol (CID 57337582) is [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol is Nc1nc(CO)c(C(F)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is QOBFPILHEPRZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7N2OS/c8-5(6(9,10)11,7(12,13)14)3-2(1-17)16-4(15)18-3/h17H,1H2,(H2,15,16).
What are the key properties of [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol?
[2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 298.18 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 57337582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).