[2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol

C12H13FN2OS — CID 55112466

IUPAC[2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol
SMILESCCN(c1cccc(F)c1)c1ncc(CO)s1
InChIInChI=1S/C12H13FN2OS/c1-2-15(10-5-3-4-9(13)6-10)12-14-7-11(8-16)17-12/h3-7,16H,2,8H2,1H3
InChIKeyVBZSFRIFLHGDFK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.93
Rot. Bonds4

About [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol

[2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol (PubChem CID 55112466) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol
PubChem CID55112466
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name[2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol
SMILESCCN(c1cccc(F)c1)c1ncc(CO)s1
InChIInChI=1S/C12H13FN2OS/c1-2-15(10-5-3-4-9(13)6-10)12-14-7-11(8-16)17-12/h3-7,16H,2,8H2,1H3
InChIKeyVBZSFRIFLHGDFK-UHFFFAOYSA-N
XLogP2.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol (CID 55112466) is [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol is CCN(c1cccc(F)c1)c1ncc(CO)s1.
What is the InChIKey of [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol?
The InChIKey is VBZSFRIFLHGDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-15(10-5-3-4-9(13)6-10)12-14-7-11(8-16)17-12/h3-7,16H,2,8H2,1H3.
What are the key properties of [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol?
[2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-3-fluoroanilino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55112466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).