phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

C11H7F3N2O2S — CID 57469782

IUPACphenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(C(F)(F)F)cs1)Oc1ccccc1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)8-6-19-9(15-8)16-10(17)18-7-4-2-1-3-5-7/h1-6H,(H,15,16,17)
InChIKeyWOIUNWZQHLGDMK-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.77
Rot. Bonds2

About phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate

phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 57469782) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID57469782
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Namephenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(C(F)(F)F)cs1)Oc1ccccc1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)8-6-19-9(15-8)16-10(17)18-7-4-2-1-3-5-7/h1-6H,(H,15,16,17)
InChIKeyWOIUNWZQHLGDMK-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 57469782) is phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is O=C(Nc1nc(C(F)(F)F)cs1)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is WOIUNWZQHLGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c12-11(13,14)8-6-19-9(15-8)16-10(17)18-7-4-2-1-3-5-7/h1-6H,(H,15,16,17).
What are the key properties of phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate?
phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 288.25 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 57469782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).