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

C13H15FN2OS — CID 114361662

IUPAC[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(-c2ccc(C)c(F)c2)sc1CN
InChIInChI=1S/C13H15FN2OS/c1-8-3-4-9(5-10(8)14)13-16-11(7-17-2)12(6-15)18-13/h3-5H,6-7,15H2,1-2H3
InChIKeyWSZXZVKUOPZAPM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.86
Rot. Bonds4

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

[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361662) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361662
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(-c2ccc(C)c(F)c2)sc1CN
InChIInChI=1S/C13H15FN2OS/c1-8-3-4-9(5-10(8)14)13-16-11(7-17-2)12(6-15)18-13/h3-5H,6-7,15H2,1-2H3
InChIKeyWSZXZVKUOPZAPM-UHFFFAOYSA-N
XLogP2.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 114361705
N-[[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366514
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366687
[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 114361753
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
[2-(2-bromo-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114015463
N-[[2-(3-bromo-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366443
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841964
5-[(3,4-dimethylphenyl)sulfanylmethyl]-4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 142277261
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 114361662) is [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(-c2ccc(C)c(F)c2)sc1CN.
What is the InChIKey of [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WSZXZVKUOPZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8-3-4-9(5-10(8)14)13-16-11(7-17-2)12(6-15)18-13/h3-5H,6-7,15H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).