(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine

C11H11FN2OS — CID 82812068

IUPAC(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine
SMILESCOc1cccc(C(N)c2cncs2)c1F
InChIInChI=1S/C11H11FN2OS/c1-15-8-4-2-3-7(10(8)12)11(13)9-5-14-6-16-9/h2-6,11H,13H2,1H3
InChIKeyGZBITWCAMZVZGK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.34
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine

(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine (PubChem CID 82812068) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine
PubChem CID82812068
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine
SMILESCOc1cccc(C(N)c2cncs2)c1F
InChIInChI=1S/C11H11FN2OS/c1-15-8-4-2-3-7(10(8)12)11(13)9-5-14-6-16-9/h2-6,11H,13H2,1H3
InChIKeyGZBITWCAMZVZGK-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
[(2-fluoro-3-methoxyphenyl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261827
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(3,4-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024853
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine
CID 130587741

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine (CID 82812068) is (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine is COc1cccc(C(N)c2cncs2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine?
The InChIKey is GZBITWCAMZVZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-15-8-4-2-3-7(10(8)12)11(13)9-5-14-6-16-9/h2-6,11H,13H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine?
(2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 82812068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).