2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C11H11FN2S — CID 60688792

IUPAC2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cscn2)c1
InChIInChI=1S/C11H11FN2S/c1-8-2-3-10(12)11(4-8)13-5-9-6-15-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyVMVKCDROAAYRTJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.20
Rot. Bonds3

About 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60688792) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60688792
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCc1ccc(F)c(NCc2cscn2)c1
InChIInChI=1S/C11H11FN2S/c1-8-2-3-10(12)11(4-8)13-5-9-6-15-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyVMVKCDROAAYRTJ-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60688792) is 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is Cc1ccc(F)c(NCc2cscn2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is VMVKCDROAAYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8-2-3-10(12)11(4-8)13-5-9-6-15-7-14-9/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 222.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60688792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).