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

C9H6BrFN2S — CID 25093330

IUPAC4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(Br)cs2)cc1
InChIInChI=1S/C9H6BrFN2S/c10-8-5-14-9(13-8)12-7-3-1-6(11)2-4-7/h1-5H,(H,12,13)
InChIKeyUGEMVNAPNXSDBB-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.79
Rot. Bonds2

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

4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 25093330) has the molecular formula C9H6BrFN2S and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID25093330
Molecular FormulaC9H6BrFN2S
Molecular Weight273.13 g/mol
Exact Mass271.94
IUPAC Name4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(Br)cs2)cc1
InChIInChI=1S/C9H6BrFN2S/c10-8-5-14-9(13-8)12-7-3-1-6(11)2-4-7/h1-5H,(H,12,13)
InChIKeyUGEMVNAPNXSDBB-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-N-cyano-2-(phenylamino)thiazole-5-carboximidamide
CID 4914117
5-bromo-N-phenyl-1,3-thiazol-2-amine
CID 12348630
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
5-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 16068845
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
5-bromo-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 16068637
5-bromo-N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 16068850
Stk034174
CID 773605
N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 25093329
5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
CID 25093335
5-bromo-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 25093336

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 25093330) is 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(Br)cs2)cc1.
What is the InChIKey of 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is UGEMVNAPNXSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2S/c10-8-5-14-9(13-8)12-7-3-1-6(11)2-4-7/h1-5H,(H,12,13).
What are the key properties of 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine?
4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 273.13 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25093330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).