2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

C11H7F5N2S — CID 60706687

IUPAC2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C11H7F5N2S/c1-4-3-19-5(18-4)2-17-11-9(15)7(13)6(12)8(14)10(11)16/h3,17H,2H2,1H3
InChIKeyYZUZIPQWIVRNCA-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.76
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 60706687) has the molecular formula C11H7F5N2S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID60706687
Molecular FormulaC11H7F5N2S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C11H7F5N2S/c1-4-3-19-5(18-4)2-17-11-9(15)7(13)6(12)8(14)10(11)16/h3,17H,2H2,1H3
InChIKeyYZUZIPQWIVRNCA-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 63185095
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 114448176
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887
3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 60706687) is 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is Cc1csc(CNc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is YZUZIPQWIVRNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N2S/c1-4-3-19-5(18-4)2-17-11-9(15)7(13)6(12)8(14)10(11)16/h3,17H,2H2,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 294.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 60706687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).