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

C11H9F3N2S — CID 107935513

IUPAC[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(F)c(F)c2F)sc1CN
InChIInChI=1S/C11H9F3N2S/c1-5-8(4-15)17-11(16-5)6-2-3-7(12)10(14)9(6)13/h2-3H,4,15H2,1H3
InChIKeySVYRBURTRNYCRN-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.99
Rot. Bonds2

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

[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107935513) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107935513
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(F)c(F)c2F)sc1CN
InChIInChI=1S/C11H9F3N2S/c1-5-8(4-15)17-11(16-5)6-2-3-7(12)10(14)9(6)13/h2-3H,4,15H2,1H3
InChIKeySVYRBURTRNYCRN-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889727
5-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-amine
CID 107935845
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
N-[[2-(2-bromo-3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107539851
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
N-[[2-(2-bromo-3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107539855
N-[[4-propan-2-yl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107935540
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine (CID 107935513) is [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine is Cc1nc(-c2ccc(F)c(F)c2F)sc1CN.
What is the InChIKey of [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SVYRBURTRNYCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-5-8(4-15)17-11(16-5)6-2-3-7(12)10(14)9(6)13/h2-3H,4,15H2,1H3.
What are the key properties of [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 258.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107935513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).