2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

C15H11BrFN3S — CID 107598427

IUPAC2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1cccc(Br)c1NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H11BrFN3S/c16-11-4-3-5-12(17)14(11)19-8-10-9-21-15(20-10)13-6-1-2-7-18-13/h1-7,9,19H,8H2
InChIKeyCHLFZZWGPFSKNS-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.72
Rot. Bonds4

About 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 107598427) has the molecular formula C15H11BrFN3S and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID107598427
Molecular FormulaC15H11BrFN3S
Molecular Weight364.24 g/mol
Exact Mass362.98
IUPAC Name2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1cccc(Br)c1NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H11BrFN3S/c16-11-4-3-5-12(17)14(11)19-8-10-9-21-15(20-10)13-6-1-2-7-18-13/h1-7,9,19H,8H2
InChIKeyCHLFZZWGPFSKNS-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 79759320
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (CID 107598427) is 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is Fc1cccc(Br)c1NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is CHLFZZWGPFSKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3S/c16-11-4-3-5-12(17)14(11)19-8-10-9-21-15(20-10)13-6-1-2-7-18-13/h1-7,9,19H,8H2.
What are the key properties of 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 364.24 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 107598427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).