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

C12H12FNO2S — CID 113472302

IUPAC(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2csc(C)n2)cc1F
InChIInChI=1S/C12H12FNO2S/c1-7-14-10(6-17-7)12(15)8-3-4-11(16-2)9(13)5-8/h3-6,12,15H,1-2H3
InChIKeyOYFXLAOONIWRBO-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.68
Rot. Bonds3

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

(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol (PubChem CID 113472302) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
PubChem CID113472302
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2csc(C)n2)cc1F
InChIInChI=1S/C12H12FNO2S/c1-7-14-10(6-17-7)12(15)8-3-4-11(16-2)9(13)5-8/h3-6,12,15H,1-2H3
InChIKeyOYFXLAOONIWRBO-UHFFFAOYSA-N
XLogP2.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099686
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344
(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
(3-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 80530151
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
(2-methoxy-4,6-dimethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 106679764
(E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51308907
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927912

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol (CID 113472302) is (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol is COc1ccc(C(O)c2csc(C)n2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol?
The InChIKey is OYFXLAOONIWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-7-14-10(6-17-7)12(15)8-3-4-11(16-2)9(13)5-8/h3-6,12,15H,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol has a molecular weight of 253.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 113472302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).