5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide

C7H4F6N2O2S — CID 87544008

IUPAC5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H4F6N2O2S/c8-6(9,10)5(17,7(11,12)13)2-1-15-4(18-2)3(14)16/h1,17H,(H2,14,16)
InChIKeyMNNBTCYRXSZSLE-UHFFFAOYSA-N
MW294.18 g/mol
LogP1.55
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide

5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 87544008) has the molecular formula C7H4F6N2O2S and a molecular weight of 294.18 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID87544008
Molecular FormulaC7H4F6N2O2S
Molecular Weight294.18 g/mol
Exact Mass293.99
IUPAC Name5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H4F6N2O2S/c8-6(9,10)5(17,7(11,12)13)2-1-15-4(18-2)3(14)16/h1,17H,(H2,14,16)
InChIKeyMNNBTCYRXSZSLE-UHFFFAOYSA-N
XLogP1.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide (CID 87544008) is 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is MNNBTCYRXSZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2O2S/c8-6(9,10)5(17,7(11,12)13)2-1-15-4(18-2)3(14)16/h1,17H,(H2,14,16).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide?
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 294.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 87544008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).