[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid

C8H9F3N2O3S — CID 122483714

IUPAC[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC(C)(O)c1sc(NC(=O)O)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c1-7(2,16)4-3(8(9,10)11)12-5(17-4)13-6(14)15/h16H,1-2H3,(H,12,13)(H,14,15)
InChIKeyUNOURKKTVFGRTI-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.48
Rot. Bonds2

About [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid

[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 122483714) has the molecular formula C8H9F3N2O3S and a molecular weight of 270.23 g/mol. Its IUPAC name is [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID122483714
Molecular FormulaC8H9F3N2O3S
Molecular Weight270.23 g/mol
Exact Mass270.03
IUPAC Name[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCC(C)(O)c1sc(NC(=O)O)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3S/c1-7(2,16)4-3(8(9,10)11)12-5(17-4)13-6(14)15/h16H,1-2H3,(H,12,13)(H,14,15)
InChIKeyUNOURKKTVFGRTI-UHFFFAOYSA-N
XLogP2.48
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid (CID 122483714) is [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid is CC(C)(O)c1sc(NC(=O)O)nc1C(F)(F)F.
What is the InChIKey of [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is UNOURKKTVFGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3S/c1-7(2,16)4-3(8(9,10)11)12-5(17-4)13-6(14)15/h16H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid?
[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 270.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 122483714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).