2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C11H9F3N2S — CID 55119019

IUPAC2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cc(F)cc(F)c2F)cs1
InChIInChI=1S/C11H9F3N2S/c1-6-16-8(5-17-6)4-15-10-3-7(12)2-9(13)11(10)14/h2-3,5,15H,4H2,1H3
InChIKeyUVIRLCLRRKGRRH-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.48
Rot. Bonds3

About 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 55119019) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID55119019
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2cc(F)cc(F)c2F)cs1
InChIInChI=1S/C11H9F3N2S/c1-6-16-8(5-17-6)4-15-10-3-7(12)2-9(13)11(10)14/h2-3,5,15H,4H2,1H3
InChIKeyUVIRLCLRRKGRRH-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468699
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitroaniline
CID 47282320
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
4-fluoro-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592421
2,3,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 62810852
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866486
2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61066905
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
2-bromo-3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 107534862

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 55119019) is 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2cc(F)cc(F)c2F)cs1.
What is the InChIKey of 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is UVIRLCLRRKGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-6-16-8(5-17-6)4-15-10-3-7(12)2-9(13)11(10)14/h2-3,5,15H,4H2,1H3.
What are the key properties of 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 258.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 55119019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).