1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol

C12H12FNOS — CID 62653769

IUPAC1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(-c2ncc(C(C)O)s2)cc1F
InChIInChI=1S/C12H12FNOS/c1-7-3-4-9(5-10(7)13)12-14-6-11(16-12)8(2)15/h3-6,8,15H,1-2H3
InChIKeyNMRYTYJSNBZELM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.31
Rot. Bonds2

About 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol

1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 62653769) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
PubChem CID62653769
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
SMILESCc1ccc(-c2ncc(C(C)O)s2)cc1F
InChIInChI=1S/C12H12FNOS/c1-7-3-4-9(5-10(7)13)12-14-6-11(16-12)8(2)15/h3-6,8,15H,1-2H3
InChIKeyNMRYTYJSNBZELM-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651210
3-[4-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]phenyl]benzoic acid
CID 138045603
1-[2-(2-ethylsulfanyl-6-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 113386054
2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 158199736
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811882
1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol
CID 20663049
2-(3-fluoro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359800
2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021373
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 63035079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol (CID 62653769) is 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol is Cc1ccc(-c2ncc(C(C)O)s2)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is NMRYTYJSNBZELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-3-4-9(5-10(7)13)12-14-6-11(16-12)8(2)15/h3-6,8,15H,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 237.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62653769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).