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

C12H12F2N2S — CID 82054678

IUPAC[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1Cc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2S/c1-7-11(17-12(6-15)16-7)4-8-2-3-9(13)5-10(8)14/h2-3,5H,4,6,15H2,1H3
InChIKeyKPZZDSWPKJSXOW-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.78
Rot. Bonds3

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

[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 82054678) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID82054678
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1Cc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2S/c1-7-11(17-12(6-15)16-7)4-8-2-3-9(13)5-10(8)14/h2-3,5H,4,6,15H2,1H3
InChIKeyKPZZDSWPKJSXOW-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361068
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970138
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
CID 83108024
[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 64559869
1-[2-[(2,4-difluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 64561232
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
[2-[(2,4-difluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 64559876
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 86811771
3-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(3-fluoro-2-hydroxypropyl)-1-methylurea
CID 167908168

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine (CID 82054678) is [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1Cc1ccc(F)cc1F.
What is the InChIKey of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is KPZZDSWPKJSXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7-11(17-12(6-15)16-7)4-8-2-3-9(13)5-10(8)14/h2-3,5H,4,6,15H2,1H3.
What are the key properties of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82054678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).