4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine

C9H5BrF2N2S — CID 112562091

IUPAC4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c(F)cc(Br)cc2F)cs1
InChIInChI=1S/C9H5BrF2N2S/c10-4-1-5(11)8(6(12)2-4)7-3-15-9(13)14-7/h1-3H,(H2,13,14)
InChIKeyOSSAPDDZKHENID-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.43
Rot. Bonds1

About 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine

4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 112562091) has the molecular formula C9H5BrF2N2S and a molecular weight of 291.12 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID112562091
Molecular FormulaC9H5BrF2N2S
Molecular Weight291.12 g/mol
Exact Mass289.93
IUPAC Name4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c(F)cc(Br)cc2F)cs1
InChIInChI=1S/C9H5BrF2N2S/c10-4-1-5(11)8(6(12)2-4)7-3-15-9(13)14-7/h1-3H,(H2,13,14)
InChIKeyOSSAPDDZKHENID-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58026097
4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58026105
4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine
CID 112562188
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
4-[4-(dimethylamino)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 121006255
3,7-dibromo-5-fluoroquinolin-2-amine
CID 138687958
5-bromo-7-fluoro-1,3-benzothiazol-2-amine
CID 126673815
4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
CID 102555190
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 58442374
4-(2,6-dimethoxy-4-methylphenyl)-1,3-thiazol-2-amine
CID 15224835

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine (CID 112562091) is 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2c(F)cc(Br)cc2F)cs1.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is OSSAPDDZKHENID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2S/c10-4-1-5(11)8(6(12)2-4)7-3-15-9(13)14-7/h1-3H,(H2,13,14).
What are the key properties of 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine?
4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 291.12 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112562091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).