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

C17H15FN2S — CID 82106600

IUPAC[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1ccccc1-c1nc(CN)sc1-c1cccc(F)c1
InChIInChI=1S/C17H15FN2S/c1-11-5-2-3-8-14(11)16-17(21-15(10-19)20-16)12-6-4-7-13(18)9-12/h2-9H,10,19H2,1H3
InChIKeyITXGLELMVPQIFN-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.38
Rot. Bonds3

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

[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82106600) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID82106600
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1ccccc1-c1nc(CN)sc1-c1cccc(F)c1
InChIInChI=1S/C17H15FN2S/c1-11-5-2-3-8-14(11)16-17(21-15(10-19)20-16)12-6-4-7-13(18)9-12/h2-9H,10,19H2,1H3
InChIKeyITXGLELMVPQIFN-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106836
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
[5-benzyl-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106451
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 82474151
4-(3-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43336065
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106482
1-(3-fluorophenyl)-2,3-dimethylbenzene
CID 54184747
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 114834505
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine (CID 82106600) is [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine is Cc1ccccc1-c1nc(CN)sc1-c1cccc(F)c1.
What is the InChIKey of [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is ITXGLELMVPQIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-11-5-2-3-8-14(11)16-17(21-15(10-19)20-16)12-6-4-7-13(18)9-12/h2-9H,10,19H2,1H3.
What are the key properties of [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).