2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline

C13H15FN2S — CID 67816441

IUPAC2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCCCN(Cc1nccs1)c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-2-8-16(10-13-15-7-9-17-13)12-6-4-3-5-11(12)14/h3-7,9H,2,8,10H2,1H3
InChIKeyJVDFIIVFCFMHJZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.70
Rot. Bonds5

About 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline

2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 67816441) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID67816441
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCCCN(Cc1nccs1)c1ccccc1F
InChIInChI=1S/C13H15FN2S/c1-2-8-16(10-13-15-7-9-17-13)12-6-4-3-5-11(12)14/h3-7,9H,2,8,10H2,1H3
InChIKeyJVDFIIVFCFMHJZ-UHFFFAOYSA-N
XLogP3.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline (CID 67816441) is 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline is CCCN(Cc1nccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is JVDFIIVFCFMHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-8-16(10-13-15-7-9-17-13)12-6-4-3-5-11(12)14/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline?
2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 250.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propyl-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 67816441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).