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

C10H9FN2S — CID 60683496

IUPAC4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(NCc2cscn2)cc1
InChIInChI=1S/C10H9FN2S/c11-8-1-3-9(4-2-8)12-5-10-6-14-7-13-10/h1-4,6-7,12H,5H2
InChIKeyNHCHQKDVJNZPGK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.89
Rot. Bonds3

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

4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60683496) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60683496
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(NCc2cscn2)cc1
InChIInChI=1S/C10H9FN2S/c11-8-1-3-9(4-2-8)12-5-10-6-14-7-13-10/h1-4,6-7,12H,5H2
InChIKeyNHCHQKDVJNZPGK-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60683496) is 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline is Fc1ccc(NCc2cscn2)cc1.
What is the InChIKey of 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is NHCHQKDVJNZPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-8-1-3-9(4-2-8)12-5-10-6-14-7-13-10/h1-4,6-7,12H,5H2.
What are the key properties of 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 208.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).