(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol

C11H10FNOS — CID 107128181

IUPAC(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
SMILESCc1ccc(C(O)c2nccs2)cc1F
InChIInChI=1S/C11H10FNOS/c1-7-2-3-8(6-9(7)12)10(14)11-13-4-5-15-11/h2-6,10,14H,1H3
InChIKeyMKOIRFTUJYSZPK-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.67
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol

(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol (PubChem CID 107128181) has the molecular formula C11H10FNOS and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
PubChem CID107128181
Molecular FormulaC11H10FNOS
Molecular Weight223.27 g/mol
Exact Mass223.05
IUPAC Name(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
SMILESCc1ccc(C(O)c2nccs2)cc1F
InChIInChI=1S/C11H10FNOS/c1-7-2-3-8(6-9(7)12)10(14)11-13-4-5-15-11/h2-6,10,14H,1H3
InChIKeyMKOIRFTUJYSZPK-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 118355623
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol (CID 107128181) is (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol is Cc1ccc(C(O)c2nccs2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is MKOIRFTUJYSZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS/c1-7-2-3-8(6-9(7)12)10(14)11-13-4-5-15-11/h2-6,10,14H,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol?
(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 223.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 107128181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).