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

C9H5BrF2N2S — CID 25093335

IUPAC5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2ncc(Br)s2)c(F)c1
InChIInChI=1S/C9H5BrF2N2S/c10-8-4-13-9(15-8)14-7-2-1-5(11)3-6(7)12/h1-4H,(H,13,14)
InChIKeyHYEDTKVSOCAGTQ-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.93
Rot. Bonds2

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

5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 25093335) has the molecular formula C9H5BrF2N2S and a molecular weight of 291.12 g/mol. Its IUPAC name is 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID25093335
Molecular FormulaC9H5BrF2N2S
Molecular Weight291.12 g/mol
Exact Mass289.93
IUPAC Name5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2ncc(Br)s2)c(F)c1
InChIInChI=1S/C9H5BrF2N2S/c10-8-4-13-9(15-8)14-7-2-1-5(11)3-6(7)12/h1-4H,(H,13,14)
InChIKeyHYEDTKVSOCAGTQ-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-3-(2-thiazolyl)-2-thiourea
CID 719408
5-bromo-N-phenyl-1,3-thiazol-2-amine
CID 12348630
5-bromo-N-(pyridin-2-yl)thiazol-2-amine
CID 5329400
5-bromo-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 16068845
N-(4-fluorophenyl)-5-iodo-1,3-thiazol-2-amine
CID 16068846
5-bromo-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 16068637
5-bromo-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 16068740
5-bromo-N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 16068850
(5-Chloro-thiazol-2-yl)-(4-fluoro-phenyl)-amine
CID 16095351
N-{4-[(5-bromo-1,3-thiazol-2-yl)amino]phenyl}acetamide
CID 16068528
1-N-(5-bromo-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 16068735
5-bromo-N-[3-(methylsulfanyl)phenyl]-1,3-thiazol-2-amine
CID 16068852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine (CID 25093335) is 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2ncc(Br)s2)c(F)c1.
What is the InChIKey of 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is HYEDTKVSOCAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2S/c10-8-4-13-9(15-8)14-7-2-1-5(11)3-6(7)12/h1-4H,(H,13,14).
What are the key properties of 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine?
5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 291.12 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25093335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).