1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol

C12H13FN2OS — CID 55112560

IUPAC1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)c2ccccc2F)s1
InChIInChI=1S/C12H13FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-8,16H,1-2H3
InChIKeyOTSAINFWUJQETC-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol

1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol (PubChem CID 55112560) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol
PubChem CID55112560
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)c2ccccc2F)s1
InChIInChI=1S/C12H13FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-8,16H,1-2H3
InChIKeyOTSAINFWUJQETC-UHFFFAOYSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol (CID 55112560) is 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(C)c2ccccc2F)s1.
What is the InChIKey of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol?
The InChIKey is OTSAINFWUJQETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-8,16H,1-2H3.
What are the key properties of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol?
1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).