3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline

C10H8F2N2S — CID 20699525

IUPAC3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFc1cc(F)cc(NCc2cncs2)c1
InChIInChI=1S/C10H8F2N2S/c11-7-1-8(12)3-9(2-7)14-5-10-4-13-6-15-10/h1-4,6,14H,5H2
InChIKeyNHGHOTZXDRRHPJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.03
Rot. Bonds3

About 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline

3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 20699525) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID20699525
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFc1cc(F)cc(NCc2cncs2)c1
InChIInChI=1S/C10H8F2N2S/c11-7-1-8(12)3-9(2-7)14-5-10-4-13-6-15-10/h1-4,6,14H,5H2
InChIKeyNHGHOTZXDRRHPJ-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline (CID 20699525) is 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline is Fc1cc(F)cc(NCc2cncs2)c1.
What is the InChIKey of 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is NHGHOTZXDRRHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-7-1-8(12)3-9(2-7)14-5-10-4-13-6-15-10/h1-4,6,14H,5H2.
What are the key properties of 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 226.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 20699525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).