[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine

C12H13FN2OS — CID 82049536

IUPAC[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C)sc2CN)cc1F
InChIInChI=1S/C12H13FN2OS/c1-7-15-12(11(6-14)17-7)8-3-4-10(16-2)9(13)5-8/h3-5H,6,14H2,1-2H3
InChIKeyRREVKNLGIBLBCH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.72
Rot. Bonds3

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

[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82049536) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID82049536
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C)sc2CN)cc1F
InChIInChI=1S/C12H13FN2OS/c1-7-15-12(11(6-14)17-7)8-3-4-10(16-2)9(13)5-8/h3-5H,6,14H2,1-2H3
InChIKeyRREVKNLGIBLBCH-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 131867399
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
(E)-3-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]but-2-enoic acid
CID 110447088
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine (CID 82049536) is [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine is COc1ccc(-c2nc(C)sc2CN)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is RREVKNLGIBLBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-7-15-12(11(6-14)17-7)8-3-4-10(16-2)9(13)5-8/h3-5H,6,14H2,1-2H3.
What are the key properties of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 252.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82049536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).