4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol

C11H11FN2OS — CID 136889727

IUPAC4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
SMILESCc1nc(-c2ccc(O)cc2F)sc1CN
InChIInChI=1S/C11H11FN2OS/c1-6-10(5-13)16-11(14-6)8-3-2-7(15)4-9(8)12/h2-4,15H,5,13H2,1H3
InChIKeyCMOAETIHQRZMGM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.42
Rot. Bonds2

About 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol

4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol (PubChem CID 136889727) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
PubChem CID136889727
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
SMILESCc1nc(-c2ccc(O)cc2F)sc1CN
InChIInChI=1S/C11H11FN2OS/c1-6-10(5-13)16-11(14-6)8-3-2-7(15)4-9(8)12/h2-4,15H,5,13H2,1H3
InChIKeyCMOAETIHQRZMGM-UHFFFAOYSA-N
XLogP2.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889731
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 21300955
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol
CID 136751543

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol?
The IUPAC name of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol (CID 136889727) is 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol.
What is the SMILES notation for 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol?
The canonical SMILES for 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol is Cc1nc(-c2ccc(O)cc2F)sc1CN.
What is the InChIKey of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol?
The InChIKey is CMOAETIHQRZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6-10(5-13)16-11(14-6)8-3-2-7(15)4-9(8)12/h2-4,15H,5,13H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol?
4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol has a molecular weight of 238.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol is sourced from PubChem (CID 136889727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).