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

C7H5F6N3O2S — CID 140535762

IUPAC[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F6N3O2S/c8-6(9,10)5(18,7(11,12)13)2-1-15-4(19-2)16-3(14)17/h1,18H,(H3,14,15,16,17)
InChIKeyFTPMWYIGCOAERX-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.95
Rot. Bonds2

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

[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea (PubChem CID 140535762) has the molecular formula C7H5F6N3O2S and a molecular weight of 309.19 g/mol. Its IUPAC name is [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
PubChem CID140535762
Molecular FormulaC7H5F6N3O2S
Molecular Weight309.19 g/mol
Exact Mass309.00
IUPAC Name[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
SMILESNC(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C7H5F6N3O2S/c8-6(9,10)5(18,7(11,12)13)2-1-15-4(19-2)16-3(14)17/h1,18H,(H3,14,15,16,17)
InChIKeyFTPMWYIGCOAERX-UHFFFAOYSA-N
XLogP1.95
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
N-ethyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)isobutyramide
CID 44413431
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)isobutyramide
CID 44413432
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)acetamide
CID 44413485
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)butyramide
CID 44413486
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
N-ethyl-2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149474
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

Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea (CID 140535762) is [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea is NC(=O)Nc1ncc(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-thiazol-2-yl]urea?
The InChIKey is FTPMWYIGCOAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N3O2S/c8-6(9,10)5(18,7(11,12)13)2-1-15-4(19-2)16-3(14)17/h1,18H,(H3,14,15,16,17).
What are the key properties of [5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea?
[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 309.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 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-thiazol-2-yl]urea is sourced from PubChem (CID 140535762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).