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

C10H8F2N2S — CID 60687488

IUPAC3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(NCc2cscn2)cc1F
InChIInChI=1S/C10H8F2N2S/c11-9-2-1-7(3-10(9)12)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2
InChIKeyOQCLQRPVRFLPJJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.03
Rot. Bonds3

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

3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 60687488) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID60687488
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESFc1ccc(NCc2cscn2)cc1F
InChIInChI=1S/C10H8F2N2S/c11-9-2-1-7(3-10(9)12)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2
InChIKeyOQCLQRPVRFLPJJ-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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Related Compounds

methyl 2-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzoate
CID 61170429
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60688792
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810952
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 60696357
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzodioxol-5-amine
CID 61168858
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 60687488) is 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline is Fc1ccc(NCc2cscn2)cc1F.
What is the InChIKey of 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is OQCLQRPVRFLPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-9-2-1-7(3-10(9)12)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4H2.
What are the key properties of 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline?
3,4-difluoro-N-(1,3-thiazol-4-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 3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 60687488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).