4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one

C12H12F2N2O2S — CID 106380956

IUPAC4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)c2c(F)cccc2F)cs1
InChIInChI=1S/C12H12F2N2O2S/c13-8-2-1-3-9(14)11(8)10(17)5-15-4-7-6-19-12(18)16-7/h1-3,6,10,15,17H,4-5H2,(H,16,18)
InChIKeyVYRCREPEMRKYMB-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.54
Rot. Bonds5

About 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380956) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380956
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC Name4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)c2c(F)cccc2F)cs1
InChIInChI=1S/C12H12F2N2O2S/c13-8-2-1-3-9(14)11(8)10(17)5-15-4-7-6-19-12(18)16-7/h1-3,6,10,15,17H,4-5H2,(H,16,18)
InChIKeyVYRCREPEMRKYMB-UHFFFAOYSA-N
XLogP1.54
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380821
4-[[(2-hydroxy-2-naphthalen-2-ylethyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380825
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
2-fluoro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382884
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
4-[(2-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380059
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
4-[[1-(2,5-difluorophenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380489
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 111451534

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380956) is 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)c2c(F)cccc2F)cs1.
What is the InChIKey of 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VYRCREPEMRKYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c13-8-2-1-3-9(14)11(8)10(17)5-15-4-7-6-19-12(18)16-7/h1-3,6,10,15,17H,4-5H2,(H,16,18).
What are the key properties of 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 286.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).