N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide

C7H4F6N2O2S — CID 87544007

IUPACN-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H4F6N2O2S/c8-6(9,10)5(17,7(11,12)13)3-1-14-4(18-3)15-2-16/h1-2,17H,(H,14,15,16)
InChIKeyWDCOMCHWYPGRQK-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.02
Rot. Bonds3

About N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide

N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide (PubChem CID 87544007) has the molecular formula C7H4F6N2O2S and a molecular weight of 294.18 g/mol. Its IUPAC name is N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide
PubChem CID87544007
Molecular FormulaC7H4F6N2O2S
Molecular Weight294.18 g/mol
Exact Mass293.99
IUPAC NameN-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide
SMILESO=CNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H4F6N2O2S/c8-6(9,10)5(17,7(11,12)13)3-1-14-4(18-3)15-2-16/h1-2,17H,(H,14,15,16)
InChIKeyWDCOMCHWYPGRQK-UHFFFAOYSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)acetamide
CID 44413485
2-(2-Aminothiazol-5-yl)propan-2-ol
CID 45121757
3-(2-Amino-1,3-thiazol-5-yl)azetidin-3-ol; bis(trifluoroacetic acid)
CID 155978196
N-butyl-N'-ethyl-N-{5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-thiazol-2-yl}urea
CID 10135168
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 57644091
1-Butyl-3-ethyl-1-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
CID 59149481
2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149483
2-[2-(Butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86591941
[[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]phosphonic acid
CID 87308442
1-(2-Amino-1,3-thiazol-5-yl)-2,2,2-trifluoroethanol
CID 87904345
[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
CID 140535762

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide (CID 87544007) is N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide is O=CNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide?
The InChIKey is WDCOMCHWYPGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2O2S/c8-6(9,10)5(17,7(11,12)13)3-1-14-4(18-3)15-2-16/h1-2,17H,(H,14,15,16).
What are the key properties of N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide?
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide has a molecular weight of 294.18 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 87544007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).