4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine

C9H6BrFN2S — CID 83913752

IUPAC4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
SMILESNc1snc(-c2cccc(F)c2)c1Br
InChIInChI=1S/C9H6BrFN2S/c10-7-8(13-14-9(7)12)5-2-1-3-6(11)4-5/h1-4H,12H2
InChIKeyROKCKODCYVHQIL-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.29
Rot. Bonds1

About 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine

4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine (PubChem CID 83913752) has the molecular formula C9H6BrFN2S and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
PubChem CID83913752
Molecular FormulaC9H6BrFN2S
Molecular Weight273.13 g/mol
Exact Mass271.94
IUPAC Name4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
SMILESNc1snc(-c2cccc(F)c2)c1Br
InChIInChI=1S/C9H6BrFN2S/c10-7-8(13-14-9(7)12)5-2-1-3-6(11)4-5/h1-4H,12H2
InChIKeyROKCKODCYVHQIL-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83911404
4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501532
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-fluorophenyl)-5-methyl-4-(4-methyl-1,3-dioxetan-2-yl)-1,2-thiazole
CID 70319449
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine
CID 114873444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
The IUPAC name of 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine (CID 83913752) is 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine.
What is the SMILES notation for 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
The canonical SMILES for 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine is Nc1snc(-c2cccc(F)c2)c1Br.
What is the InChIKey of 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
The InChIKey is ROKCKODCYVHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2S/c10-7-8(13-14-9(7)12)5-2-1-3-6(11)4-5/h1-4H,12H2.
What are the key properties of 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine has a molecular weight of 273.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 83913752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).